data_2rsc_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 2rsc _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.54 165.76 31.25 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.752 2.021 . . . . 0.0 113.117 -178.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 m -99.98 148.71 24.21 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.987 1.715 . . . . 0.0 109.722 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -114.19 154.1 28.45 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.434 1.894 . . . . 0.0 110.095 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 t -94.44 161.77 14.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.822 1.249 . . . . 0.0 108.988 169.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -56.52 -47.53 79.16 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.28 0.945 . . . . 0.0 111.766 -175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -60.28 -37.72 81.38 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.81 -45.95 62.54 Favored Glycine 0 C--N 1.339 0.718 0 C-N-CA 124.141 0.877 . . . . 0.0 111.601 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.12 -49.75 74.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.149 1.38 . . . . 0.0 111.792 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -50.3 -45.87 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.886 0.874 . . . . 0.0 110.568 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -68.89 -43.41 75.33 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -61.94 -42.5 99.18 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.414 1.086 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.68 -40.46 69.58 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.984 0.914 . . . . 0.0 112.199 177.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -56.44 -40.48 74.86 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.321 0.509 . . . . 0.0 111.81 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.71 -28.7 63.87 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.099 0.96 . . . . 0.0 113.141 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.25 4.87 51.22 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.292 1.437 . . . . 0.0 114.317 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.83 32.27 8.11 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 124.564 1.078 . . . . 0.0 114.675 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -96.88 136.86 36.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.716 1.206 . . . . 0.0 109.458 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -72.18 134.14 45.52 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.621 0.768 . . . . 0.0 111.639 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.23 -24.98 65.28 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -78.85 -21.31 47.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.285 1.434 . . . . 0.0 112.504 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.6 mt -99.55 -13.24 19.53 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.992 1.317 . . . . 0.0 112.809 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.2 tpp -51.11 -43.75 61.16 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.4 1.48 . . . . 0.0 112.916 -174.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -54.44 -49.41 70.08 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.093 0.957 . . . . 0.0 112.375 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -61.9 -46.74 88.07 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.714 0.805 . . . . 0.0 110.669 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -63.26 -49.62 73.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.794 0.838 . . . . 0.0 112.368 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 m -67.13 -35.52 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.215 0.916 . . . . 0.0 111.839 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.13 -32.87 67.33 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.957 0.799 . . . . 0.0 112.804 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.31 -55.25 22.59 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.931 1.692 . . . . 0.0 109.496 169.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.9 t -59.77 -39.15 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.05 0.94 . . . . 0.0 112.055 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.92 -19.24 64.96 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -95.64 -36.45 11.22 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.639 1.109 . . . . 0.0 112.368 172.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -74.22 -57.39 3.99 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.174 0.59 . . . . 0.0 111.314 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -112.8 -8.85 13.72 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.14 -0.975 . . . . 0.0 113.381 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m 63.52 24.85 14.22 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.81 1.244 . . . . 0.0 112.786 -169.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 71.27 28.74 2.94 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.626 1.57 . . . . 0.0 112.538 -174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -118.55 115.07 23.82 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.9 1.28 . . . . 0.0 112.216 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.1 p -64.91 -25.69 67.99 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.8 m -79.5 -5.68 55.34 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -74.44 140.41 44.63 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.875 -1.141 . . . . 0.0 113.034 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.5 p -137.75 156.15 48.28 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.005 1.722 . . . . 0.0 111.988 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -148.0 131.96 17.18 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.011 1.324 . . . . 0.0 111.413 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 m -88.18 144.23 26.58 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.717 1.207 . . . . 0.0 110.054 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -103.46 157.3 17.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.449 1.499 . . . . 0.0 111.81 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -63.45 -22.37 66.85 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.267 1.027 . . . . 0.0 113.13 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -81.8 -0.62 44.13 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.651 1.58 . . . . 0.0 113.666 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.33 -2.11 84.82 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.567 1.556 . . . . 0.0 115.325 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.5 p -86.99 164.65 16.38 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.293 1.437 . . . . 0.0 111.71 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -127.62 150.93 49.51 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.86 -1.15 . . . . 0.0 111.361 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -104.45 143.41 33.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.782 2.033 . . . . 0.0 110.164 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -141.22 150.09 42.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.036 1.334 . . . . 0.0 113.2 -170.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.52 -176.25 50.61 Favored Glycine 0 N--CA 1.468 0.803 0 CA-C-O 121.89 0.716 . . . . 0.0 113.987 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 tp -65.18 -23.1 67.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 -168.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -105.57 9.46 33.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.338 1.055 . . . . 0.0 111.774 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 50.84 57.04 7.08 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.542 1.537 . . . . 0.0 111.504 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.1 mt -84.21 136.08 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 125.276 1.43 . . . . 0.0 109.748 -172.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -94.46 138.78 31.97 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -169.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -67.89 -10.92 57.17 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -102.58 -15.79 16.29 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.692 1.197 . . . . 0.0 112.325 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -118.14 -28.21 5.89 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -168.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -147.33 -51.11 0.19 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -168.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -98.55 168.85 9.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.85 1.26 . . . . 0.0 112.186 169.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -115.46 135.63 53.91 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.971 1.708 . . . . 0.0 112.355 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -77.08 -13.93 59.88 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.7 -167.31 26.09 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.016 0.817 . . . . 0.0 113.256 -171.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.17 -8.66 59.53 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.2 m -139.29 150.77 65.49 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 126.343 1.857 . . . . 0.0 110.692 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.25 154.83 71.32 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.225 2.617 . . . . 0.0 110.58 173.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.5 54.15 0.01 OUTLIER Glycine 0 N--CA 1.472 1.062 0 N-CA-C 114.249 0.46 . . . . 0.0 114.249 -173.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -143.89 -175.29 4.53 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.902 2.081 . . . . 0.0 110.276 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.67 -23.99 45.58 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -169.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 72.1 m -113.64 10.45 18.0 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.832 1.253 . . . . 0.0 114.316 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.7 t30 56.48 47.63 18.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.922 1.689 . . . . 0.0 112.586 171.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.1 p -152.72 148.49 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.302 1.441 . . . . 0.0 110.27 -170.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -103.2 135.36 44.99 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.599 1.56 . . . . 0.0 111.105 -173.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.1 m -50.24 -37.4 35.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.204 1.402 . . . . 0.0 114.152 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -76.06 -26.65 56.75 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -22.19 63.69 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.812 -1.18 . . . . 0.0 112.174 173.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.66 -13.75 61.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.679 0.792 . . . . 0.0 112.67 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.2 mt -94.21 1.85 55.98 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.41 1.484 . . . . 0.0 112.79 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.0 p -79.34 170.07 17.15 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.782 1.233 . . . . 0.0 111.615 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -78.52 6.47 8.53 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -169.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -127.8 123.29 34.85 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.313 1.445 . . . . 0.0 109.207 169.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.5 pt -66.02 -14.1 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.405 1.482 . . . . 0.0 113.327 -176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.1 t -54.57 -33.26 59.91 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.59 1.556 . . . . 0.0 114.538 -169.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -36.16 82.77 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.567 -0.708 . . . . 0.0 111.501 176.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.13 -40.42 18.25 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.538 1.135 . . . . 0.0 111.264 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.53 93.72 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.048 0.939 . . . . 0.0 112.974 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -65.45 -35.14 80.03 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.94 -1.1 . . . . 0.0 112.653 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 36.1 t -67.44 -39.72 85.4 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.602 0.761 . . . . 0.0 111.22 172.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.41 88.88 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.195 0.998 . . . . 0.0 112.587 172.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -61.28 -42.25 98.33 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.234 1.379 . . . . 0.0 112.55 170.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.74 -26.36 66.95 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.2 mt -74.93 -44.89 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.41 -0.806 . . . . 0.0 110.644 169.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -24.59 57.75 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.077 1.351 . . . . 0.0 114.081 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -58.03 -19.14 29.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.628 1.571 . . . . 0.0 114.942 169.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -127.53 -32.06 2.44 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.288 1.435 . . . . 0.0 112.789 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -140.39 85.52 2.01 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.663 1.585 . . . . 0.0 110.538 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -54.24 -38.57 65.91 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -170.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -142.78 -15.84 0.71 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.106 1.362 . . . . 0.0 113.532 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.58 -14.83 62.2 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.667 1.187 . . . . 0.0 114.137 -172.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.85 -7.29 47.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.381 1.072 . . . . 0.0 113.67 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.6 m-90 -125.89 127.93 46.8 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 125.42 1.488 . . . . 0.0 111.582 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.97 -33.22 67.98 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -171.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.32 -38.95 95.44 Favored Glycine 0 C--N 1.339 0.724 0 C-N-CA 124.032 0.825 . . . . 0.0 113.16 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -64.39 -41.51 96.63 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -83.67 -9.95 58.51 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -95.42 -34.7 12.01 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.153 1.381 . . . . 0.0 113.984 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.91 -32.14 0.81 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.689 1.737 . . . . 0.0 115.689 -173.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 59.6 m -70.78 -9.89 58.35 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 120.815 -1.178 . . . . 0.0 114.062 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -72.74 -23.01 60.78 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.224 1.009 . . . . 0.0 112.538 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -88.67 -49.53 3.6 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 124.305 0.955 . . . . 0.0 112.81 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.0 m -153.54 145.35 23.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.045 1.338 . . . . 0.0 111.699 -174.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.2 mt -119.53 150.01 49.06 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 125.599 1.56 . . . . 0.0 110.976 171.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -74.2 157.69 45.9 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.798 2.999 . . . . 0.0 110.939 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -79.03 148.77 32.38 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 122.166 0.984 . . . . 0.0 111.734 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.0 pt -128.01 -1.5 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.908 2.083 . . . . 0.0 112.679 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.0 m -66.5 -14.27 62.04 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.46 1.104 . . . . 0.0 113.937 -174.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.3 p -88.12 -10.31 50.45 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.949 1.699 . . . . 0.0 113.996 173.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.797 1.639 . . . . 0.0 112.133 -176.426 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.056 0 N-CA-C 111.921 -0.472 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -157.03 163.7 38.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.769 1.628 . . . . 0.0 112.672 -172.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 m -106.49 135.58 47.74 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.799 1.239 . . . . 0.0 110.654 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -103.26 155.82 18.17 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.282 1.833 . . . . 0.0 110.677 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 p -82.47 169.05 16.82 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.508 1.123 . . . . 0.0 108.504 166.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -60.99 -37.92 84.17 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.86 -0.525 . . . . 0.0 109.6 167.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.4 m -64.86 -40.95 95.94 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.17 -44.88 58.66 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 124.331 0.967 . . . . 0.0 111.429 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.42 -47.8 77.75 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.427 1.114 . . . . 0.0 112.254 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.37 -41.71 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 119.29 0.95 . . . . 0.0 110.892 175.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -73.66 -42.03 61.91 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.231 1.012 . . . . 0.0 113.161 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.22 -39.25 93.59 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.248 1.019 . . . . 0.0 111.051 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -73.88 -38.45 64.4 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.449 -0.782 . . . . 0.0 111.99 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -56.08 -43.01 77.61 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.091 0.557 . . . . 0.0 111.93 170.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -65.61 -36.99 85.32 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.987 0.915 . . . . 0.0 112.34 173.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -86.23 -2.47 58.41 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.15 24.01 8.22 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.763 1.173 . . . . 0.0 115.172 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -88.4 136.4 33.0 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.552 1.141 . . . . 0.0 109.936 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -69.81 131.83 45.11 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.424 0.69 . . . . 0.0 110.931 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -66.79 -19.38 65.73 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -176.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -76.09 -23.9 54.98 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 171.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.2 mt -90.83 -16.63 27.96 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.542 1.137 . . . . 0.0 112.332 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.4 tpp -50.18 -44.56 52.9 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.669 1.588 . . . . 0.0 113.435 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -55.4 -42.52 74.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.085 0.954 . . . . 0.0 113.015 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -67.98 -47.24 69.11 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.357 0.663 . . . . 0.0 111.164 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -62.14 -48.68 79.05 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.577 0.751 . . . . 0.0 112.51 -178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 m -66.5 -35.78 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 119.186 0.903 . . . . 0.0 111.853 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -71.2 -38.45 72.06 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.077 0.853 . . . . 0.0 112.188 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.32 -55.5 33.94 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.581 1.552 . . . . 0.0 109.844 169.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.9 t -60.1 -39.92 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.968 0.907 . . . . 0.0 112.173 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -63.69 -26.59 68.73 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -86.37 -39.06 16.79 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.585 1.084 . . . . 0.0 112.266 172.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.1 -55.78 5.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.034 0.534 . . . . 0.0 111.345 -172.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.9 p -112.57 -11.25 13.61 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m 68.03 24.15 7.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.574 1.55 . . . . 0.0 112.762 -169.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 69.68 27.81 4.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.171 1.388 . . . . 0.0 112.481 -175.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -119.0 118.42 31.45 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.254 1.422 . . . . 0.0 111.406 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.6 p -68.16 -25.61 65.34 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 119.078 -0.487 . . . . 0.0 112.082 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.8 m -77.67 -4.53 46.58 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -73.51 144.37 46.18 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.913 -1.117 . . . . 0.0 112.882 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 p -146.15 152.43 39.25 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.548 1.939 . . . . 0.0 111.382 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -149.51 124.23 9.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.445 1.498 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 m -92.97 142.73 26.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.942 1.297 . . . . 0.0 110.537 -176.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -106.16 159.63 15.94 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.573 1.549 . . . . 0.0 112.254 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -63.65 -23.36 67.34 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.57 1.148 . . . . 0.0 113.316 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -71.28 -15.59 62.43 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.591 1.556 . . . . 0.0 113.764 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.24 -4.94 74.63 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.549 1.547 . . . . 0.0 114.077 -176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.9 p -80.38 162.43 24.49 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.981 1.313 . . . . 0.0 111.762 170.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -128.74 150.18 50.39 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.686 1.194 . . . . 0.0 111.221 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -101.72 139.88 36.77 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.317 1.847 . . . . 0.0 109.462 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -138.79 148.99 44.48 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.573 1.149 . . . . 0.0 113.046 -169.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.53 -175.35 53.23 Favored Glycine 0 N--CA 1.467 0.715 0 O-C-N 121.51 -0.743 . . . . 0.0 114.282 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.97 -21.7 66.88 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -168.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -108.49 9.96 27.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.492 1.117 . . . . 0.0 111.673 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 50.31 57.46 6.56 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.821 1.648 . . . . 0.0 111.508 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.9 mt -84.5 133.35 29.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.301 1.44 . . . . 0.0 109.747 -171.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -93.59 137.92 32.37 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -170.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -66.37 -11.56 52.02 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -83.54 -18.01 39.84 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.003 0.921 . . . . 0.0 112.758 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -130.77 -59.1 1.01 Allowed 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -167.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -102.8 -50.79 3.44 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -166.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -102.12 162.97 12.5 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.363 1.465 . . . . 0.0 111.865 169.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.6 t -111.05 135.74 51.11 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.878 1.671 . . . . 0.0 112.447 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -78.85 -13.73 59.64 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.57 -167.16 25.31 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.045 0.831 . . . . 0.0 112.971 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.23 -7.92 57.71 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.8 m -139.5 150.77 64.86 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 126.058 1.743 . . . . 0.0 111.068 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -68.92 157.01 63.57 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.452 2.768 . . . . 0.0 110.725 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.57 40.82 0.02 OUTLIER Glycine 0 N--CA 1.476 1.342 0 N-CA-C 116.181 1.232 . . . . 0.0 116.181 -176.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -128.32 -173.25 2.9 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.309 1.844 . . . . 0.0 110.425 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -57.27 -26.78 61.36 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -169.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 62.9 m -105.9 7.29 32.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.589 1.156 . . . . 0.0 113.919 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.4 t30 56.49 48.32 16.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.939 1.695 . . . . 0.0 112.56 172.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -150.89 153.59 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 125.325 1.45 . . . . 0.0 110.664 -171.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -105.93 136.27 45.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.259 1.823 . . . . 0.0 111.174 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.6 m -51.55 -36.51 45.4 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.255 1.422 . . . . 0.0 113.91 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -72.23 -29.98 64.47 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -14.44 62.46 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.736 -1.228 . . . . 0.0 112.162 171.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.45 -14.59 58.16 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.028 0.831 . . . . 0.0 112.446 172.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.1 mt -94.62 6.76 47.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.526 1.53 . . . . 0.0 113.04 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -79.97 -179.61 7.08 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.466 1.507 . . . . 0.0 111.991 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -91.67 9.16 33.55 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.358 1.463 . . . . 0.0 113.819 -170.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -132.92 126.36 31.94 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.031 1.732 . . . . 0.0 108.031 168.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.9 pt -67.79 -14.14 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.491 1.116 . . . . 0.0 113.179 -174.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.5 t -53.08 -37.55 61.77 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.624 1.569 . . . . 0.0 114.265 -169.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -61.7 -32.51 72.72 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.385 -0.822 . . . . 0.0 112.196 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.59 -39.04 15.43 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.826 1.25 . . . . 0.0 111.729 174.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.65 -39.77 80.54 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.452 1.101 . . . . 0.0 113.4 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -69.65 -33.27 72.38 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.912 -1.117 . . . . 0.0 112.322 173.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 37.7 t -68.68 -35.32 77.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.263 1.025 . . . . 0.0 111.485 172.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.97 91.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.128 0.971 . . . . 0.0 112.394 171.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.16 -42.31 98.32 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.955 1.252 . . . . 0.0 112.549 170.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.81 -24.96 67.02 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.019 0.928 . . . . 0.0 112.997 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 84.9 mt -77.12 -46.44 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.964 0.906 . . . . 0.0 110.462 168.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.82 -25.82 56.75 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.519 1.528 . . . . 0.0 113.918 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -55.41 -27.18 46.08 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.411 1.484 . . . . 0.0 114.416 169.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -115.59 -34.89 4.72 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.544 1.538 . . . . 0.0 112.307 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -143.62 88.26 1.98 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.573 1.549 . . . . 0.0 110.751 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -54.35 -38.55 66.2 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -170.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -142.21 -10.32 0.86 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.248 1.419 . . . . 0.0 113.328 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -76.18 -12.61 60.13 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -171.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.88 -5.21 39.71 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.139 0.976 . . . . 0.0 113.631 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -125.93 143.99 50.86 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.679 1.592 . . . . 0.0 111.77 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -86.87 -37.32 17.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -169.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.02 -34.2 88.16 Favored Glycine 0 N--CA 1.471 0.978 0 C-N-CA 123.695 0.664 . . . . 0.0 113.328 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -61.7 -41.27 97.38 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -94.93 -17.57 21.87 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.34 -20.96 19.29 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -138.94 -44.2 0.47 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 m -70.78 -7.0 41.88 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -172.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -72.69 -22.88 60.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.029 0.932 . . . . 0.0 112.958 173.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.7 -35.26 25.8 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 118.724 0.693 . . . . 0.0 113.551 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -173.19 145.73 1.36 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 127.36 2.264 . . . . 0.0 110.369 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.7 mt -111.04 148.86 39.54 Favored Pre-proline 0 CA--C 1.543 0.709 0 C-N-CA 124.979 1.311 . . . . 0.0 111.163 172.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -70.64 153.43 64.89 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 123.773 2.982 . . . . 0.0 111.04 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -77.57 148.09 35.36 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 122.275 1.036 . . . . 0.0 111.647 170.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.9 pt -129.94 -0.09 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.997 2.119 . . . . 0.0 112.636 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.8 m -62.96 -17.02 61.47 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -173.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 m -83.46 -6.32 59.42 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.051 1.341 . . . . 0.0 113.849 173.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.858 1.663 . . . . 0.0 112.061 -175.28 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.171 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -155.92 162.37 40.4 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.613 1.565 . . . . 0.0 112.718 -171.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -109.45 136.59 48.61 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.11 1.364 . . . . 0.0 110.334 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -104.42 155.05 19.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.089 1.755 . . . . 0.0 110.709 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.0 t -93.88 162.43 13.91 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.866 1.266 . . . . 0.0 108.683 168.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.3 -47.73 78.07 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.456 1.025 . . . . 0.0 111.787 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.4 m -59.86 -38.87 83.37 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.64 -0.662 . . . . 0.0 112.768 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.83 -45.54 73.86 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 124.057 0.836 . . . . 0.0 111.691 176.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.01 -50.03 73.69 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.054 1.341 . . . . 0.0 111.797 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.24 -45.3 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.744 0.818 . . . . 0.0 110.606 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -68.79 -43.68 75.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.985 0.914 . . . . 0.0 113.46 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.36 -38.14 88.38 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.05 1.34 . . . . 0.0 111.274 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.49 -41.08 48.31 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.008 0.923 . . . . 0.0 112.284 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -55.9 -40.58 73.24 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 118.451 0.569 . . . . 0.0 111.492 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -66.37 -41.65 89.13 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.516 1.926 . . . . 0.0 112.254 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -82.26 -5.18 58.36 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.33 39.83 2.73 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 124.751 1.167 . . . . 0.0 114.459 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -105.04 138.48 41.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.374 1.47 . . . . 0.0 109.332 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.38 141.57 38.27 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.201 0.6 . . . . 0.0 112.082 -172.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -38.83 63.0 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.817 1.247 . . . . 0.0 113.925 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.39 -14.81 60.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.1 mt -100.99 -20.33 15.46 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.02 1.328 . . . . 0.0 112.079 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.5 tpp -49.78 -44.97 49.24 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.04 1.736 . . . . 0.0 113.011 -174.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -55.18 -48.57 73.61 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.021 0.929 . . . . 0.0 112.428 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -65.06 -44.13 89.98 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.556 0.742 . . . . 0.0 111.481 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -62.71 -48.94 77.05 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.256 0.622 . . . . 0.0 112.494 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 m -67.81 -35.07 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 119.221 0.919 . . . . 0.0 111.924 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -71.79 -32.18 67.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.715 0.689 . . . . 0.0 112.664 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.91 -54.34 27.77 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.091 1.756 . . . . 0.0 109.927 169.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.03 -40.48 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.026 0.93 . . . . 0.0 111.891 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.93 -31.74 72.08 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -85.6 -29.31 24.2 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -81.62 -59.12 2.72 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.945 0.898 . . . . 0.0 111.624 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -113.21 -10.24 13.39 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -174.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m 67.55 23.64 8.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.429 1.492 . . . . 0.0 112.816 -169.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 mtm-85 70.38 29.17 3.6 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.251 1.42 . . . . 0.0 112.192 -175.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -121.77 117.52 26.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.09 1.356 . . . . 0.0 111.391 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.5 p -67.75 -27.14 66.53 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 122.247 -0.283 . . . . 0.0 111.637 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 m -74.86 -5.47 43.8 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -74.71 145.22 43.27 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.897 -1.127 . . . . 0.0 112.851 -174.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.0 p -145.3 156.66 43.94 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.097 1.759 . . . . 0.0 111.823 175.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -147.5 131.69 17.4 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.022 1.329 . . . . 0.0 111.373 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.3 m -89.91 144.21 26.13 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.95 1.3 . . . . 0.0 110.132 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -106.46 158.36 16.96 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.14 1.376 . . . . 0.0 111.576 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -61.6 -24.02 66.4 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.383 1.073 . . . . 0.0 113.259 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -69.5 -18.75 63.72 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.742 1.617 . . . . 0.0 114.091 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.31 -4.16 70.01 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.336 1.446 . . . . 0.0 114.247 -175.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.2 p -82.9 159.2 22.38 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.927 1.291 . . . . 0.0 111.176 169.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -127.37 153.03 46.73 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.618 1.167 . . . . 0.0 111.18 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -103.55 143.33 32.88 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.596 1.958 . . . . 0.0 110.011 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -140.9 147.23 38.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.638 1.175 . . . . 0.0 113.422 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.26 -175.82 53.82 Favored Glycine 0 N--CA 1.467 0.727 0 CA-C-O 121.92 0.734 . . . . 0.0 114.292 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -21.59 66.8 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -168.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -107.85 9.06 28.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.584 1.153 . . . . 0.0 111.771 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 50.14 57.89 6.07 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.839 1.656 . . . . 0.0 111.574 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.6 mt -84.13 134.2 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.222 1.409 . . . . 0.0 109.457 -172.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -93.98 139.61 30.72 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -170.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.53 -9.63 27.87 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 116.491 2.034 . . . . 0.0 116.491 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -89.11 -15.79 33.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.959 1.304 . . . . 0.0 113.666 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -135.36 -47.78 0.7 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -167.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -117.71 -41.39 2.93 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -167.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -111.63 165.19 12.24 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.614 1.166 . . . . 0.0 112.052 168.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -118.36 136.98 53.42 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.752 1.221 . . . . 0.0 112.372 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -85.83 -11.32 53.7 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.82 -170.49 29.29 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.01 0.815 . . . . 0.0 112.371 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.39 4.26 18.58 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 -177.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -148.75 143.56 17.33 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.579 1.552 . . . . 0.0 110.562 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.16 159.93 51.0 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.546 2.831 . . . . 0.0 111.603 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.05 72.65 0.03 OUTLIER Glycine 0 N--CA 1.472 1.087 0 O-C-N 121.888 -0.507 . . . . 0.0 114.283 -175.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -154.49 -176.78 6.06 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.356 2.263 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.96 -27.16 60.99 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.625 1.57 . . . . 0.0 114.075 175.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 55.8 m -105.67 0.26 26.19 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.653 1.181 . . . . 0.0 114.039 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 55.94 50.38 14.02 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.609 1.563 . . . . 0.0 112.898 170.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.2 p -149.6 151.34 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.717 1.207 . . . . 0.0 111.469 -171.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -104.26 135.83 44.98 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.537 1.935 . . . . 0.0 111.147 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.3 m -51.87 -37.46 52.25 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.524 1.529 . . . . 0.0 113.813 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -73.69 -28.31 61.68 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -10.86 60.38 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.807 -1.183 . . . . 0.0 112.478 171.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.8 mt -84.18 -14.6 49.69 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.678 0.672 . . . . 0.0 112.272 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 mt -93.81 8.09 42.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.588 1.555 . . . . 0.0 112.903 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.4 t -84.08 -175.48 5.82 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.677 1.591 . . . . 0.0 112.181 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -93.83 11.48 29.19 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.681 1.592 . . . . 0.0 113.921 -169.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -139.13 127.05 22.21 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.061 1.744 . . . . 0.0 108.431 168.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.7 pt -71.11 -12.82 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.5 1.12 . . . . 0.0 113.174 -173.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.1 t -56.92 -33.93 67.45 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -169.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -32.85 73.49 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.125 -0.985 . . . . 0.0 112.044 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.26 -39.94 16.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.342 1.057 . . . . 0.0 111.618 174.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.45 -41.6 84.46 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.855 0.862 . . . . 0.0 113.266 -176.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -68.04 -32.92 73.61 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.721 -1.237 . . . . 0.0 112.411 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.0 t -67.97 -37.48 81.59 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.816 0.846 . . . . 0.0 111.222 171.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.74 91.95 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.162 0.985 . . . . 0.0 112.583 171.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.19 -42.27 98.28 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 120.359 1.436 . . . . 0.0 112.328 170.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -66.02 -22.26 66.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.8 mt -80.85 -45.53 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.044 0.937 . . . . 0.0 110.753 168.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -28.15 55.96 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.216 1.406 . . . . 0.0 113.598 177.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.77 -20.5 35.63 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.055 1.742 . . . . 0.0 114.801 169.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -116.01 -38.39 3.65 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.831 1.653 . . . . 0.0 112.082 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -145.3 95.87 2.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.608 1.563 . . . . 0.0 110.809 -176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -54.33 -39.18 66.81 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -170.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -142.56 -17.14 0.71 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.146 1.378 . . . . 0.0 113.457 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -72.26 -14.32 61.74 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -172.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.27 -9.37 55.76 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.271 1.028 . . . . 0.0 113.592 172.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 -121.05 124.57 45.14 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.391 1.476 . . . . 0.0 111.749 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -71.05 -32.15 68.78 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -173.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.48 -37.44 94.45 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 123.78 0.705 . . . . 0.0 112.716 -178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -64.2 -44.79 90.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 117.767 0.783 . . . . 0.0 112.613 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -78.07 -10.19 59.5 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -90.25 -34.66 15.68 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.948 1.299 . . . . 0.0 113.602 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.16 -24.49 0.99 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -170.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 84.1 m -76.49 -7.02 54.27 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 120.051 1.296 . . . . 0.0 113.844 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -77.67 -21.56 51.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.35 1.06 . . . . 0.0 112.836 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -88.33 -39.28 6.87 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 124.026 0.822 . . . . 0.0 113.62 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.6 t -170.32 153.9 4.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.656 1.582 . . . . 0.0 111.264 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.5 mt -121.26 150.14 53.38 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.798 1.639 . . . . 0.0 111.766 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -71.41 156.72 58.04 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.853 3.036 . . . . 0.0 111.214 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -78.31 152.05 32.64 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 122.217 1.008 . . . . 0.0 112.175 173.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.8 pt -131.56 -3.36 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 127.001 2.12 . . . . 0.0 113.056 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.0 t -67.6 -18.81 65.12 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.101 -0.999 . . . . 0.0 112.737 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.8 p -80.56 -10.69 59.73 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.772 1.629 . . . . 0.0 114.219 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.696 1.598 . . . . 0.0 112.119 -176.353 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 N-CA-C 112.231 -0.347 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -159.2 165.57 33.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.518 1.927 . . . . 0.0 112.412 -175.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 m -110.82 131.46 55.03 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.638 1.175 . . . . 0.0 110.485 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -96.39 156.85 16.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.094 1.757 . . . . 0.0 110.744 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -95.68 160.8 14.31 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.836 1.255 . . . . 0.0 108.491 168.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.01 -45.92 78.93 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.476 1.035 . . . . 0.0 111.73 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.6 m -61.34 -33.68 74.02 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.91 -46.38 29.46 Favored Glycine 0 C--N 1.339 0.742 0 C-N-CA 124.279 0.942 . . . . 0.0 111.435 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.02 -48.83 78.52 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.131 1.373 . . . . 0.0 112.068 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.9 t -50.52 -45.34 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.008 0.822 . . . . 0.0 110.525 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -69.84 -41.52 74.79 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.123 0.969 . . . . 0.0 113.311 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.01 -41.45 99.56 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.384 1.074 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.81 -37.93 67.35 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.026 0.93 . . . . 0.0 112.224 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -58.54 -40.97 84.45 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.922 0.489 . . . . 0.0 111.91 172.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.57 -33.82 75.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.671 0.788 . . . . 0.0 112.565 172.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -88.97 5.53 43.77 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.962 1.305 . . . . 0.0 114.509 -175.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.36 23.55 21.51 Favored Glycine 0 N--CA 1.473 1.135 0 C-N-CA 124.63 1.11 . . . . 0.0 115.377 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.409 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 6.8 m-85 -88.08 140.85 29.07 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.536 1.168 . . . . 0.0 109.954 174.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -77.97 138.02 38.62 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.493 0.717 . . . . 0.0 111.967 -174.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.59 -26.06 67.73 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 114.15 1.166 . . . . 0.0 114.15 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -83.13 -17.48 42.86 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.4 mt -96.21 -19.38 19.37 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.537 1.135 . . . . 0.0 112.249 173.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.7 tpp -46.55 -45.02 18.41 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.497 1.919 . . . . 0.0 113.3 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -55.77 -48.34 75.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.479 1.112 . . . . 0.0 112.94 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -64.1 -43.09 96.41 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.173 0.589 . . . . 0.0 111.41 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -64.1 -49.51 71.97 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.298 0.639 . . . . 0.0 112.687 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 m -66.67 -33.91 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 119.062 0.846 . . . . 0.0 111.701 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -73.28 -33.36 65.19 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.789 0.722 . . . . 0.0 112.706 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.99 -53.77 44.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.769 1.628 . . . . 0.0 109.888 169.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.5 t -60.17 -40.65 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.034 0.934 . . . . 0.0 111.758 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -62.88 -26.71 68.91 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -86.2 -35.55 20.0 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -78.37 -48.43 15.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.325 0.65 . . . . 0.0 111.867 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -121.65 -12.72 8.46 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m 62.38 32.41 16.88 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.688 0.795 . . . . 0.0 111.612 -167.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 72.9 27.84 2.08 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.052 1.741 . . . . 0.0 112.749 176.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -118.41 115.57 24.93 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.553 1.541 . . . . 0.0 111.838 -175.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.3 p -68.01 -25.06 65.21 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.6 m -75.37 -4.86 41.83 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.4 1.0 . . . . 0.0 113.694 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -77.05 144.57 38.5 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.075 -1.016 . . . . 0.0 113.383 -171.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.1 p -145.05 158.16 43.9 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.688 1.995 . . . . 0.0 111.903 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -152.61 133.09 13.76 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.269 1.428 . . . . 0.0 111.441 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 m -89.58 148.06 23.58 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.117 1.367 . . . . 0.0 110.668 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -110.6 158.74 18.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.646 1.579 . . . . 0.0 112.019 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.57 -23.57 67.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.61 1.164 . . . . 0.0 113.565 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -80.74 -4.36 54.18 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.172 1.389 . . . . 0.0 114.16 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.22 -2.35 83.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.235 1.397 . . . . 0.0 114.714 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.5 p -82.48 165.14 20.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.798 1.239 . . . . 0.0 111.662 170.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -132.69 150.82 52.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.632 1.173 . . . . 0.0 110.937 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -103.23 141.53 35.73 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.727 2.011 . . . . 0.0 109.465 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -137.43 151.16 48.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.386 1.075 . . . . 0.0 113.617 -169.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.49 -152.41 29.12 Favored Glycine 0 N--CA 1.463 0.47 0 C-N-CA 123.749 0.69 . . . . 0.0 114.075 169.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -88.36 -21.76 24.18 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -112.8 10.51 19.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.802 1.641 . . . . 0.0 111.378 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 54.66 52.9 11.4 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.212 1.805 . . . . 0.0 110.927 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.5 mt -81.84 133.09 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.505 1.122 . . . . 0.0 109.109 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.67 137.26 34.0 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -169.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.65 -10.85 21.04 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 116.466 2.025 . . . . 0.0 116.466 -176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -90.41 -15.81 30.26 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.892 1.277 . . . . 0.0 113.345 -177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -131.15 -52.95 1.04 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -167.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -110.28 -52.51 2.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.512 0.725 . . . . 0.0 112.086 -167.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.83 172.86 7.17 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.384 1.474 . . . . 0.0 111.743 169.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.51 140.77 51.64 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.219 1.008 . . . . 0.0 112.617 176.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -88.91 -11.22 45.14 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -176.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.93 -175.41 32.13 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.26 0.934 . . . . 0.0 112.315 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.1 -1.81 6.67 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -172.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -156.04 145.43 15.23 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 126.284 1.834 . . . . 0.0 109.966 -169.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.95 150.19 88.45 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.225 2.617 . . . . 0.0 110.823 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.64 32.59 0.03 OUTLIER Glycine 0 N--CA 1.475 1.259 0 N-CA-C 118.571 2.188 . . . . 0.0 118.571 -171.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -124.6 -164.36 1.26 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 118.794 1.297 . . . . 0.0 111.716 169.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.72 -31.99 65.06 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -168.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 82.1 m -100.3 4.52 44.15 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 56.98 47.39 17.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.689 1.596 . . . . 0.0 112.143 169.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.3 p -147.0 152.12 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.698 1.599 . . . . 0.0 110.06 -171.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -105.18 136.56 44.47 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.572 1.549 . . . . 0.0 110.134 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.7 m -50.64 -35.21 29.45 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.95 1.3 . . . . 0.0 113.701 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -71.93 -31.65 66.56 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.48 -12.33 61.56 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 120.617 -1.302 . . . . 0.0 112.516 172.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.37 -14.14 55.72 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.473 -0.767 . . . . 0.0 112.248 172.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 mt -96.56 9.56 41.09 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.617 1.567 . . . . 0.0 113.319 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.3 t -89.14 -175.68 4.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.621 1.568 . . . . 0.0 112.335 -173.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -86.16 -4.22 59.12 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -172.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -122.4 124.04 42.74 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.377 1.471 . . . . 0.0 109.484 169.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.0 pt -67.36 -14.69 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 125.046 1.339 . . . . 0.0 113.348 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -51.79 -37.63 52.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.16 1.784 . . . . 0.0 114.871 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -64.84 -29.82 70.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.545 -0.722 . . . . 0.0 112.747 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.16 -40.73 14.34 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.538 1.135 . . . . 0.0 111.489 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.9 89.35 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.52 1.128 . . . . 0.0 113.053 -175.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.29 -33.25 71.33 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.105 -0.997 . . . . 0.0 112.693 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 33.8 t -66.57 -38.51 87.21 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.832 0.853 . . . . 0.0 111.068 171.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.93 85.16 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.333 1.053 . . . . 0.0 112.554 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.409 ' HD3' ' CE1' ' A' ' 18' ' ' PHE . 20.2 mmmt -62.29 -41.75 98.76 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.194 1.361 . . . . 0.0 112.48 171.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -66.51 -25.21 66.58 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.8 mt -74.94 -46.14 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 121.354 -0.841 . . . . 0.0 110.514 168.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -27.25 61.57 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.906 1.282 . . . . 0.0 114.098 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -55.67 -28.91 58.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.18 1.392 . . . . 0.0 114.36 169.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -109.6 -36.41 5.96 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.603 1.561 . . . . 0.0 111.939 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -145.5 88.66 1.87 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.785 1.634 . . . . 0.0 110.649 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -53.46 -40.47 65.29 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -169.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -140.01 -9.85 1.16 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.203 1.401 . . . . 0.0 113.106 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.62 -16.11 60.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.761 1.224 . . . . 0.0 114.176 -170.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.76 -8.39 55.18 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.488 1.115 . . . . 0.0 113.584 173.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 25.6 m-90 -118.3 140.73 49.38 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.589 1.556 . . . . 0.0 112.245 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -89.56 -30.66 18.05 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.029 0.932 . . . . 0.0 113.202 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.44 -35.22 81.33 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.747 0.689 . . . . 0.0 112.901 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -63.86 -42.93 97.44 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.996 -0.708 . . . . 0.0 112.7 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -77.45 -10.15 59.3 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.113 -0.992 . . . . 0.0 113.662 173.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -85.33 -36.0 21.08 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.358 1.063 . . . . 0.0 113.421 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.21 -14.18 0.7 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 118.181 2.66 . . . . 0.0 118.181 -174.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 74.5 m -78.94 -5.82 54.68 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.436 1.471 . . . . 0.0 113.746 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -80.98 -24.05 38.31 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.354 1.062 . . . . 0.0 112.93 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.23 -37.64 6.61 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.068 0.842 . . . . 0.0 113.607 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.1 t -170.03 155.85 5.76 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.748 1.619 . . . . 0.0 111.122 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -121.27 151.27 55.65 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.774 1.63 . . . . 0.0 111.735 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.62 153.65 69.31 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.84 3.027 . . . . 0.0 111.582 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -77.56 142.16 39.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.932 0.893 . . . . 0.0 111.577 170.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.6 pt -131.78 -1.1 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.414 1.886 . . . . 0.0 113.0 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.2 p -67.57 -10.23 50.0 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -175.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.5 p -84.88 -11.52 55.44 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.904 1.682 . . . . 0.0 114.038 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.9 m . . . . . 0 C--O 1.251 1.145 0 C-N-CA 125.83 1.652 . . . . 0.0 112.193 -177.088 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 CA-C-O 121.681 0.6 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -157.27 164.79 37.29 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 128.137 2.575 . . . . 0.0 112.379 -174.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m -101.78 138.57 38.58 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.362 1.465 . . . . 0.0 110.644 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -103.0 154.53 19.15 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.467 1.907 . . . . 0.0 110.334 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.9 t -95.52 159.64 14.9 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.133 1.373 . . . . 0.0 108.965 169.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.48 -49.04 75.83 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.247 0.93 . . . . 0.0 112.093 -172.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 p -63.78 -31.44 72.62 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.49 -45.73 58.64 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.19 0.9 . . . . 0.0 111.445 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.24 -49.95 73.7 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.188 1.395 . . . . 0.0 111.705 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.21 -46.71 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.128 0.971 . . . . 0.0 110.545 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -68.67 -42.95 77.17 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.48 -40.84 98.17 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.116 0.967 . . . . 0.0 111.255 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -71.89 -39.36 69.64 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.712 0.805 . . . . 0.0 112.032 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -57.33 -40.79 78.7 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.294 0.497 . . . . 0.0 111.808 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -67.65 -35.75 79.47 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.053 0.941 . . . . 0.0 112.531 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -87.75 5.24 40.92 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.196 1.398 . . . . 0.0 114.482 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.62 32.36 8.17 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.612 1.101 . . . . 0.0 114.829 169.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -97.66 131.84 43.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.832 1.253 . . . . 0.0 109.478 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.44 137.82 57.71 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.886 0.874 . . . . 0.0 113.066 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.64 -29.42 70.61 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -75.49 -15.34 60.42 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 175.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.8 mt -104.33 -13.63 16.06 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.4 1.48 . . . . 0.0 112.771 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.9 tpp -52.94 -43.12 66.05 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.216 1.406 . . . . 0.0 112.957 -173.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -55.97 -48.15 76.35 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.264 1.026 . . . . 0.0 112.469 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -61.36 -47.5 85.59 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.564 0.746 . . . . 0.0 110.604 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.9 m95 -63.1 -50.32 71.0 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.739 0.816 . . . . 0.0 112.5 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.61 -35.44 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 119.375 0.989 . . . . 0.0 111.906 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.39 -37.0 74.45 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.839 0.745 . . . . 0.0 112.206 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.65 -51.86 63.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.354 1.462 . . . . 0.0 110.616 171.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.9 t -57.94 -39.03 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.484 -0.76 . . . . 0.0 111.788 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.5 -26.87 66.57 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -34.16 38.34 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.927 1.24 . . . . 0.0 112.029 173.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.02 -60.77 2.11 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.926 0.891 . . . . 0.0 111.881 -173.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.8 p -112.11 -7.55 14.07 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.213 -0.93 . . . . 0.0 113.11 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 m 62.05 24.11 14.31 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.66 1.184 . . . . 0.0 112.411 -169.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.1 mtm-85 73.27 28.72 1.78 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.032 1.733 . . . . 0.0 112.578 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -117.29 115.55 25.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.915 1.286 . . . . 0.0 112.157 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.9 p -66.09 -25.4 67.0 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -79.48 -6.98 58.09 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -73.15 140.66 47.21 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.82 -1.175 . . . . 0.0 112.901 -172.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.8 p -137.55 158.66 43.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.975 1.71 . . . . 0.0 111.584 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -149.48 131.83 15.6 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.979 1.311 . . . . 0.0 111.46 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.1 m -87.67 147.31 25.31 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.878 1.271 . . . . 0.0 110.146 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -110.31 157.72 19.19 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.583 1.553 . . . . 0.0 111.791 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -62.6 -23.87 67.27 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.481 1.112 . . . . 0.0 113.355 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -77.89 -7.49 56.79 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.492 1.517 . . . . 0.0 113.788 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.42 1.16 72.09 Favored Glycine 0 N--CA 1.475 1.277 0 C-N-CA 125.356 1.455 . . . . 0.0 114.9 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.8 p -87.26 165.35 15.73 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.374 1.47 . . . . 0.0 111.891 171.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -129.75 151.71 50.03 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.482 1.113 . . . . 0.0 111.287 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -102.86 145.36 29.91 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.496 1.919 . . . . 0.0 110.312 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -142.08 148.2 38.02 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.982 1.313 . . . . 0.0 113.276 -171.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.46 -177.51 48.98 Favored Glycine 0 N--CA 1.468 0.809 0 C-N-CA 123.816 0.722 . . . . 0.0 114.199 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.99 -23.7 67.43 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -168.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -104.33 7.22 35.68 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.469 1.108 . . . . 0.0 111.971 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 51.85 58.57 5.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.066 1.746 . . . . 0.0 111.384 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.7 mt -83.04 134.93 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 125.524 1.53 . . . . 0.0 109.336 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -96.91 140.24 31.76 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.35 -8.36 18.05 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -113.05 1.07 15.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.199 1.8 . . . . 0.0 112.65 -176.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -129.39 -41.96 1.35 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -172.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -144.56 -36.64 0.32 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -168.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -108.36 168.25 9.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.287 1.035 . . . . 0.0 112.15 168.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.35 138.6 53.64 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.804 1.241 . . . . 0.0 112.552 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -84.43 -15.2 47.02 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.34 -166.65 29.74 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.111 0.862 . . . . 0.0 112.989 -172.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.38 7.09 8.56 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -156.48 145.0 14.58 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.83 1.652 . . . . 0.0 110.363 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.71 160.43 48.21 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.589 2.859 . . . . 0.0 111.634 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.72 70.89 0.03 OUTLIER Glycine 0 N--CA 1.471 0.975 0 O-C-N 121.948 -0.47 . . . . 0.0 114.049 -174.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -151.48 -178.34 6.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 127.593 2.357 . . . . 0.0 110.0 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -59.9 -31.81 70.16 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.841 0.856 . . . . 0.0 112.971 174.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.3 m -93.84 -1.58 54.67 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 52.87 52.2 14.4 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.996 1.719 . . . . 0.0 112.685 170.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.49 146.48 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.624 1.17 . . . . 0.0 111.119 -171.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -101.35 135.0 43.56 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.11 1.764 . . . . 0.0 110.696 -174.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.8 m -48.82 -38.62 22.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.432 1.493 . . . . 0.0 114.348 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -77.16 -24.42 51.51 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.457 -0.777 . . . . 0.0 112.813 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.6 -11.15 60.53 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.722 -1.236 . . . . 0.0 112.211 170.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.4 mt -82.4 -9.82 59.3 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.099 -1.001 . . . . 0.0 112.587 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.0 mt -97.22 8.78 43.85 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.608 1.563 . . . . 0.0 112.62 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.5 p -69.13 162.8 26.23 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.125 1.77 . . . . 0.0 112.365 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -77.01 -1.68 30.06 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -120.89 127.79 52.2 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.235 1.814 . . . . 0.0 107.632 167.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.3 pt -68.8 -12.58 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 125.27 1.428 . . . . 0.0 113.446 -174.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.7 t -51.8 -39.37 58.57 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.982 1.713 . . . . 0.0 114.797 -169.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -64.2 -29.81 70.9 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.275 -0.891 . . . . 0.0 112.839 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.3 -41.97 15.05 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.389 1.075 . . . . 0.0 111.491 172.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.46 98.78 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.368 1.067 . . . . 0.0 113.106 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.37 -35.56 81.34 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.066 -1.022 . . . . 0.0 112.613 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 43.3 t -68.72 -39.98 80.17 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.489 0.715 . . . . 0.0 111.183 171.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.3 -37.12 76.9 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.056 0.942 . . . . 0.0 113.001 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -61.77 -44.02 97.7 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.143 1.338 . . . . 0.0 112.588 170.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -68.38 -24.97 64.84 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.314 -0.866 . . . . 0.0 112.836 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 96.2 mt -71.77 -48.11 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.416 -0.802 . . . . 0.0 110.231 168.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.5 -30.72 63.33 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.64 1.176 . . . . 0.0 113.371 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -57.51 -19.25 23.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.936 2.094 . . . . 0.0 115.502 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -115.86 -37.79 3.82 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.852 1.661 . . . . 0.0 111.872 174.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -145.6 91.86 2.16 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.189 1.796 . . . . 0.0 110.372 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -51.41 -41.73 60.96 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -170.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -142.03 -11.21 0.87 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.216 1.406 . . . . 0.0 113.242 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.83 -13.34 61.27 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.845 1.258 . . . . 0.0 113.915 -172.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.46 -7.21 41.6 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.439 1.096 . . . . 0.0 113.668 172.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.6 m-90 -128.71 123.01 31.97 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.438 1.495 . . . . 0.0 111.37 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -74.25 -35.24 63.81 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -167.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.86 -25.5 74.18 Favored Glycine 0 N--CA 1.473 1.111 0 O-C-N 121.483 -0.76 . . . . 0.0 113.476 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -67.43 -44.97 77.43 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.437 1.119 . . . . 0.0 111.194 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -80.91 -15.81 55.29 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -98.37 -32.79 11.33 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -127.31 -33.31 2.38 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.1 m -84.26 0.95 46.99 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -76.43 -32.41 58.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.854 0.861 . . . . 0.0 112.792 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.5 -30.35 19.12 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 123.739 0.685 . . . . 0.0 114.032 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.8 m -153.56 132.45 12.43 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.278 1.431 . . . . 0.0 111.206 -174.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.2 mt -121.06 150.57 53.69 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.778 1.631 . . . . 0.0 110.778 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -71.85 153.96 58.59 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.608 2.872 . . . . 0.0 111.271 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -77.41 142.1 39.43 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.896 0.879 . . . . 0.0 111.403 170.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 44.8 pt -129.86 -1.71 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.33 1.852 . . . . 0.0 113.07 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.3 p -68.16 -10.65 55.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 p -86.33 -10.66 54.0 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.964 1.706 . . . . 0.0 114.083 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.251 1.14 0 C-N-CA 126.017 1.727 . . . . 0.0 112.142 -176.302 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.051 0 N-CA-C 111.996 -0.441 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -155.23 164.21 39.11 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.745 1.618 . . . . 0.0 112.62 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -107.36 132.7 52.86 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.727 1.211 . . . . 0.0 110.696 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -97.79 157.45 16.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.17 1.788 . . . . 0.0 110.748 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.7 t -96.87 159.87 14.67 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.011 1.324 . . . . 0.0 108.652 168.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -55.8 -45.9 78.14 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.502 1.046 . . . . 0.0 112.014 -175.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m -61.34 -35.09 76.45 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.31 42.48 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 124.162 0.887 . . . . 0.0 111.579 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.69 -49.02 76.76 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.105 1.362 . . . . 0.0 112.067 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.9 t -49.98 -45.86 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.764 0.826 . . . . 0.0 110.444 173.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -69.24 -41.31 77.14 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.885 0.874 . . . . 0.0 113.228 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.39 -42.22 98.8 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.279 1.032 . . . . 0.0 111.148 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.3 mt -72.07 -37.79 69.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.867 0.867 . . . . 0.0 111.965 176.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.61 -41.24 85.41 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.805 -0.559 . . . . 0.0 112.005 172.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -67.89 -35.01 77.76 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.617 0.767 . . . . 0.0 112.578 172.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -86.8 2.93 47.21 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.41 34.98 7.16 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 124.436 1.017 . . . . 0.0 114.415 170.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -91.13 154.59 19.25 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.229 1.012 . . . . 0.0 111.599 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -76.36 121.46 23.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.412 1.485 . . . . 0.0 110.295 -171.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.17 -27.63 69.1 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -81.45 -12.92 58.74 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.294 1.038 . . . . 0.0 113.726 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 mt -106.89 -3.37 20.34 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.575 1.15 . . . . 0.0 113.013 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.5 tpp -53.1 -41.22 64.77 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.879 1.218 . . . . 0.0 112.504 -174.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -55.71 -49.44 73.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.476 1.11 . . . . 0.0 112.345 172.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -60.49 -46.87 88.52 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.527 1.131 . . . . 0.0 110.691 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -64.7 -49.7 69.87 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.518 1.127 . . . . 0.0 112.391 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 m -66.17 -33.91 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.154 0.888 . . . . 0.0 111.874 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -70.86 -43.73 67.86 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.603 0.638 . . . . 0.0 112.05 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.14 -53.8 45.1 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.317 1.447 . . . . 0.0 110.337 169.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.3 t -61.58 -41.28 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.759 0.823 . . . . 0.0 111.927 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -62.61 -35.41 79.47 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -86.79 -19.76 28.56 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -85.39 -60.91 1.89 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.92 0.888 . . . . 0.0 111.814 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.1 p -113.31 -9.56 13.39 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -171.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m 67.07 23.05 9.77 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.367 1.467 . . . . 0.0 112.993 -169.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 72.22 26.77 2.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.668 1.587 . . . . 0.0 112.148 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -118.4 118.64 32.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.31 1.444 . . . . 0.0 111.167 -175.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.0 p -68.17 -26.08 65.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 119.151 -0.452 . . . . 0.0 112.122 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.9 m -78.74 -5.79 54.16 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -71.37 144.98 49.67 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.82 -1.175 . . . . 0.0 112.485 -175.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.6 p -142.87 159.94 41.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.592 1.557 . . . . 0.0 112.073 173.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -148.95 137.96 21.44 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.533 1.533 . . . . 0.0 111.036 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 m -94.57 142.24 27.67 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.642 1.177 . . . . 0.0 110.468 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -95.45 157.15 16.02 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.661 1.584 . . . . 0.0 111.669 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.7 mtm105 -61.7 -24.39 66.74 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.376 1.071 . . . . 0.0 113.28 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -84.85 -3.34 58.62 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.429 1.492 . . . . 0.0 114.211 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.37 -2.76 71.38 Favored Glycine 0 N--CA 1.475 1.234 0 C-N-CA 125.128 1.347 . . . . 0.0 115.265 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.1 p -81.78 168.78 17.66 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.746 1.273 . . . . 0.0 111.468 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -134.58 157.62 46.1 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.51 -1.369 . . . . 0.0 111.517 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -109.32 141.57 41.46 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 126.851 2.061 . . . . 0.0 109.597 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.7 148.66 41.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.246 1.018 . . . . 0.0 113.511 -169.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.56 -176.82 52.06 Favored Glycine 0 N--CA 1.468 0.767 0 CA-C-O 121.998 0.776 . . . . 0.0 113.908 172.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -20.7 66.55 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -168.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -107.61 8.16 29.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.662 1.185 . . . . 0.0 111.717 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 51.15 58.67 5.29 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.777 1.631 . . . . 0.0 111.258 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.5 mt -82.86 130.67 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 125.327 1.451 . . . . 0.0 109.472 -171.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.25 134.42 34.91 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.418 0.687 . . . . 0.0 111.95 -170.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.48 -9.02 15.85 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.9 ttp180 -85.13 -16.21 41.24 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.809 2.044 . . . . 0.0 113.398 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -136.9 -48.59 0.61 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -168.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -113.08 -50.02 2.89 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -167.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 p -101.19 166.18 10.91 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.235 1.414 . . . . 0.0 113.073 173.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.4 t -110.99 130.94 55.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.478 1.511 . . . . 0.0 111.982 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -81.62 -14.09 57.15 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.19 -167.34 33.37 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.178 0.894 . . . . 0.0 112.571 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.21 7.66 6.03 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.5 t -156.51 142.29 12.79 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 125.263 1.425 . . . . 0.0 110.862 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -65.51 147.49 86.81 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.377 2.718 . . . . 0.0 110.571 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.64 43.64 0.03 OUTLIER Glycine 0 N--CA 1.473 1.116 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 -171.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -132.42 -169.64 2.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.986 1.314 . . . . 0.0 110.451 168.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.3 -25.54 61.96 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -168.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.7 m -103.29 4.68 36.81 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.8 m120 58.98 43.52 17.68 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.509 1.524 . . . . 0.0 112.799 168.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.8 p -147.35 147.47 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.4 1.48 . . . . 0.0 110.458 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -97.85 134.64 40.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.281 1.432 . . . . 0.0 110.538 -176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 81.8 m -49.64 -36.57 25.06 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.412 1.485 . . . . 0.0 113.943 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.1 t -70.62 -29.2 65.51 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -71.89 -18.9 62.01 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.765 -1.209 . . . . 0.0 112.162 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.3 mt -74.74 -14.29 60.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.855 0.862 . . . . 0.0 112.464 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt -94.6 8.56 41.9 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.787 1.635 . . . . 0.0 112.819 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.1 p -76.69 177.41 7.57 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.466 1.506 . . . . 0.0 111.996 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -88.5 9.42 23.8 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.725 1.21 . . . . 0.0 113.702 -174.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -132.09 125.41 31.28 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.971 1.709 . . . . 0.0 108.322 169.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.2 pt -66.76 -14.4 17.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.769 1.228 . . . . 0.0 113.137 -174.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.8 t -53.12 -36.35 60.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.283 1.833 . . . . 0.0 114.623 -169.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -62.48 -32.88 73.85 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.61 -0.682 . . . . 0.0 112.19 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.13 -39.82 15.19 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.701 1.2 . . . . 0.0 111.53 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.4 -40.85 85.64 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.174 0.99 . . . . 0.0 113.393 -175.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -70.21 -33.38 71.63 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.036 -1.04 . . . . 0.0 112.538 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 30.4 t -66.3 -39.46 89.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.852 0.861 . . . . 0.0 111.129 171.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.72 83.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.52 1.128 . . . . 0.0 112.932 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -61.4 -42.94 99.53 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.27 1.395 . . . . 0.0 112.232 171.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -67.63 -22.3 65.34 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 94.2 mt -77.78 -46.86 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.443 -0.786 . . . . 0.0 110.483 168.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -28.41 62.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.696 1.198 . . . . 0.0 113.607 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -57.23 -23.31 47.15 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.84 1.656 . . . . 0.0 114.693 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -113.62 -37.53 4.57 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.919 1.688 . . . . 0.0 111.901 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -144.92 88.25 1.89 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.184 1.794 . . . . 0.0 110.53 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -53.79 -39.47 65.47 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -170.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -139.93 -14.49 1.05 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.11 1.364 . . . . 0.0 113.251 173.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.66 -14.34 62.43 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -173.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.28 -9.07 58.32 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 170.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -131.82 110.81 11.1 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.766 1.227 . . . . 0.0 113.036 -174.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -30.65 65.18 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.403 1.481 . . . . 0.0 112.488 171.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -56.81 -21.36 36.42 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.334 1.445 . . . . 0.0 112.953 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -93.45 -63.0 1.26 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 117.895 0.848 . . . . 0.0 111.102 167.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -65.2 -19.34 65.93 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -169.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -99.12 -4.03 33.2 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -135.64 -28.28 1.12 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -171.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 70.9 m -89.64 6.23 42.22 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.176 1.39 . . . . 0.0 114.054 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -74.22 -25.53 59.71 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.484 1.113 . . . . 0.0 112.855 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.16 -53.35 2.84 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 124.209 0.909 . . . . 0.0 112.615 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.7 t -169.16 170.14 8.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.854 1.662 . . . . 0.0 111.219 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 80.9 mt -120.86 154.28 57.52 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 126.368 1.867 . . . . 0.0 112.11 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -67.87 156.08 67.31 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.844 3.029 . . . . 0.0 111.551 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -81.32 152.31 27.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.431 1.093 . . . . 0.0 112.56 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.8 pt -133.33 -4.13 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.869 2.067 . . . . 0.0 113.346 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.1 m -69.62 -8.81 50.74 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.653 -1.279 . . . . 0.0 114.107 -174.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.7 p -86.22 -9.16 57.07 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.945 1.698 . . . . 0.0 113.952 170.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.034 1.733 . . . . 0.0 112.472 -173.296 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.104 0 N-CA-C 111.869 -0.492 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -156.08 165.31 36.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.876 1.671 . . . . 0.0 112.319 -170.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 m -111.76 126.29 54.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.423 1.089 . . . . 0.0 110.128 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -89.64 157.22 18.11 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.5 1.52 . . . . 0.0 110.878 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 t -95.3 161.92 13.89 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.966 1.306 . . . . 0.0 108.702 168.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -56.54 -49.48 74.67 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.314 0.961 . . . . 0.0 112.101 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -60.66 -38.22 84.16 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.657 -0.652 . . . . 0.0 112.512 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.69 -46.83 88.73 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 123.983 0.801 . . . . 0.0 111.687 174.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.58 -49.24 76.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.018 1.327 . . . . 0.0 111.931 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -49.43 -46.6 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.99 0.916 . . . . 0.0 110.422 173.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -69.08 -40.82 78.21 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.932 0.893 . . . . 0.0 113.085 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.12 -42.51 96.81 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.388 1.075 . . . . 0.0 110.889 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.96 -37.67 69.89 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.249 1.019 . . . . 0.0 112.29 176.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -57.7 -41.51 81.83 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.954 0.501 . . . . 0.0 111.888 172.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.46 -33.87 76.03 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.544 0.737 . . . . 0.0 112.606 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -87.56 4.65 42.82 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.963 1.305 . . . . 0.0 114.419 -175.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.83 21.63 27.93 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.639 1.114 . . . . 0.0 115.025 169.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -83.91 139.87 32.33 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.447 1.123 . . . . 0.0 109.831 173.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -75.88 137.1 40.2 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.36 0.664 . . . . 0.0 111.888 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.32 -27.77 68.73 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -80.99 -15.97 54.72 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 175.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.4 mt -98.76 -13.9 19.98 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.776 1.231 . . . . 0.0 112.489 173.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -51.51 -41.82 61.27 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.282 1.433 . . . . 0.0 113.014 -173.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -55.78 -49.86 72.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.742 0.817 . . . . 0.0 112.11 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -61.82 -45.52 93.46 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.878 0.871 . . . . 0.0 110.523 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -64.47 -49.92 69.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.483 0.713 . . . . 0.0 112.737 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 m -66.68 -35.49 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.313 0.96 . . . . 0.0 111.706 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.8 -41.42 71.62 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.754 0.706 . . . . 0.0 111.833 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -55.61 -54.28 46.03 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.099 1.36 . . . . 0.0 110.006 170.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.99 -39.99 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.359 0.664 . . . . 0.0 111.866 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -64.81 -31.59 72.89 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -92.31 -15.17 27.73 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -87.66 -67.69 0.81 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.858 1.263 . . . . 0.0 111.408 173.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.3 p -107.17 -12.61 15.35 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.6 m 65.22 33.89 8.91 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.08 1.352 . . . . 0.0 112.998 -169.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.3 mtm-85 71.66 27.15 2.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.877 1.671 . . . . 0.0 112.496 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -118.45 115.11 23.96 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.426 1.49 . . . . 0.0 111.617 -173.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -71.16 -24.28 62.22 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.4 m -77.53 -2.06 33.67 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.545 1.066 . . . . 0.0 113.222 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.93 142.73 38.19 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.618 1.167 . . . . 0.0 113.016 -172.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 p -145.96 154.0 41.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.998 2.119 . . . . 0.0 111.004 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -150.82 123.87 8.76 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.455 0.702 . . . . 0.0 111.656 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.6 m -86.21 144.64 27.35 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.058 1.343 . . . . 0.0 110.142 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -118.03 159.83 22.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.558 1.543 . . . . 0.0 111.741 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -62.87 -23.41 67.3 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.438 1.095 . . . . 0.0 113.725 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -77.51 -7.85 56.89 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.26 1.424 . . . . 0.0 113.733 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.51 1.73 74.13 Favored Glycine 0 N--CA 1.475 1.236 0 C-N-CA 125.628 1.585 . . . . 0.0 114.728 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 p -88.27 163.04 16.29 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.171 1.388 . . . . 0.0 111.859 171.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -124.84 147.15 48.91 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.869 1.268 . . . . 0.0 110.95 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.61 149.21 21.7 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.828 1.651 . . . . 0.0 110.666 171.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -143.03 144.84 32.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.667 1.587 . . . . 0.0 112.836 -171.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.29 -176.31 53.5 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-O 122.196 0.886 . . . . 0.0 114.91 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.09 -27.25 69.26 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -168.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -103.09 11.03 37.66 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.097 0.959 . . . . 0.0 111.62 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 54.63 53.01 11.23 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.18 1.392 . . . . 0.0 110.58 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.6 mt -86.46 131.33 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.052 1.341 . . . . 0.0 110.003 -170.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -96.04 140.39 30.84 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -63.04 -10.17 13.08 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 -176.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -110.02 1.12 18.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.03 1.732 . . . . 0.0 112.766 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -130.19 -42.73 1.2 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -171.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -144.58 -36.76 0.31 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -168.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.0 p -109.38 168.02 9.69 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.433 1.093 . . . . 0.0 111.418 168.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.39 138.96 52.74 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.624 1.169 . . . . 0.0 112.399 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -91.54 -10.2 41.54 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.486 1.661 . . . . 0.0 115.486 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.68 -156.5 9.59 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 123.661 0.648 . . . . 0.0 113.534 -169.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.45 1.46 22.13 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -159.98 156.75 24.47 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 126.31 1.844 . . . . 0.0 111.235 -176.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -68.29 161.66 43.72 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.587 2.858 . . . . 0.0 110.74 169.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 163.52 73.95 0.03 OUTLIER Glycine 0 N--CA 1.473 1.105 0 O-C-N 121.994 -0.441 . . . . 0.0 114.121 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -153.58 -177.86 6.64 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.569 2.348 . . . . 0.0 110.363 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.39 -35.64 63.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.363 1.065 . . . . 0.0 112.808 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 63.7 m -97.24 -0.07 47.35 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 53.54 49.89 18.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.601 1.56 . . . . 0.0 113.048 169.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.4 p -147.78 143.9 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.599 1.16 . . . . 0.0 111.412 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -96.94 135.8 38.41 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.569 1.547 . . . . 0.0 111.307 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 72.6 m -48.41 -37.45 17.04 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.101 1.76 . . . . 0.0 114.308 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -70.24 -32.5 70.38 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.7 -16.27 63.31 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.763 -1.211 . . . . 0.0 112.923 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.0 mt -77.26 -13.29 59.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.057 0.943 . . . . 0.0 112.554 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.3 mt -96.24 5.75 50.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.452 1.501 . . . . 0.0 113.343 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -78.33 179.06 7.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.169 1.388 . . . . 0.0 111.823 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -85.83 16.23 4.23 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.853 1.261 . . . . 0.0 113.144 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.56 123.16 13.26 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.237 2.215 . . . . 0.0 109.715 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.3 pt -78.02 -13.34 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -169.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -26.88 68.78 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -166.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -65.06 -32.28 73.92 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.016 -1.052 . . . . 0.0 112.113 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.04 -39.25 18.23 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.259 1.023 . . . . 0.0 111.281 174.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.19 77.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.968 0.907 . . . . 0.0 113.095 -176.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -67.07 -35.37 79.69 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.977 -1.077 . . . . 0.0 112.428 173.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.8 t -65.1 -40.77 95.02 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.794 0.837 . . . . 0.0 110.744 172.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.11 -35.93 76.32 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.237 1.015 . . . . 0.0 112.798 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -64.82 -43.24 93.76 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.217 1.371 . . . . 0.0 112.625 172.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -68.47 -22.79 64.54 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.321 -0.862 . . . . 0.0 112.853 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 93.6 mt -74.26 -47.3 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 121.305 -0.872 . . . . 0.0 109.913 167.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -28.88 63.4 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.675 1.19 . . . . 0.0 113.995 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -56.29 -26.11 50.75 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.294 1.438 . . . . 0.0 114.559 169.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -112.48 -32.74 6.38 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.162 1.785 . . . . 0.0 112.629 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -148.45 81.38 1.46 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.083 2.153 . . . . 0.0 110.039 -173.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -38.66 42.79 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -168.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -141.6 -1.86 1.26 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.667 1.187 . . . . 0.0 113.063 169.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.63 -18.17 57.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.225 1.81 . . . . 0.0 114.492 -168.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.91 -3.87 37.8 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.779 1.232 . . . . 0.0 113.708 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -123.85 147.91 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.018 1.727 . . . . 0.0 111.703 -176.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -89.85 -39.8 12.84 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.643 0.777 . . . . 0.0 113.049 -171.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.39 -29.81 75.67 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 124.059 0.838 . . . . 0.0 113.053 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -64.1 -43.96 93.77 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 117.879 0.839 . . . . 0.0 113.007 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -89.62 -16.5 30.38 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -98.32 -22.5 16.08 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -133.23 -45.86 0.84 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 30.2 m -70.55 -7.7 45.78 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -172.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -73.64 -22.54 59.95 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.982 0.913 . . . . 0.0 112.696 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.54 -35.74 16.07 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 123.741 0.686 . . . . 0.0 113.552 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 t -170.98 150.04 3.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.805 1.642 . . . . 0.0 111.116 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.9 mt -119.5 149.18 47.34 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 125.755 1.622 . . . . 0.0 110.96 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -74.69 166.76 28.62 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.911 3.074 . . . . 0.0 111.621 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -77.31 147.81 36.01 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.756 0.822 . . . . 0.0 112.719 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 49.7 pt -127.79 -6.05 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.515 1.526 . . . . 0.0 113.483 169.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.5 m -69.93 -21.5 63.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.012 1.278 . . . . 0.0 112.645 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.7 t -80.95 -4.52 55.27 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.442 1.097 . . . . 0.0 113.358 169.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 C--O 1.249 1.065 0 C-N-CA 125.473 1.509 . . . . 0.0 112.43 -176.258 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.046 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -154.61 164.17 39.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.078 1.751 . . . . 0.0 112.546 -172.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 m -112.99 131.57 55.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.71 1.204 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -95.6 160.61 14.42 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.712 1.605 . . . . 0.0 111.482 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -102.79 161.63 13.58 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.487 1.515 . . . . 0.0 107.857 166.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -57.54 -44.12 84.93 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.163 0.892 . . . . 0.0 111.925 -174.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.68 -26.63 68.75 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.92 -49.26 6.53 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.499 1.047 . . . . 0.0 111.197 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.47 -46.59 89.4 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.663 1.185 . . . . 0.0 112.355 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.3 t -51.7 -44.28 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.251 0.932 . . . . 0.0 110.717 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -70.99 -42.49 69.6 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.148 0.979 . . . . 0.0 112.912 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.25 -41.38 96.81 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.016 1.326 . . . . 0.0 111.134 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -75.29 -40.77 58.34 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.052 0.941 . . . . 0.0 112.252 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -54.99 -41.96 71.87 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.512 0.596 . . . . 0.0 111.589 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -68.59 -38.24 80.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.736 1.614 . . . . 0.0 112.738 174.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -83.49 0.01 48.26 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.07 40.73 3.68 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 124.716 1.151 . . . . 0.0 114.559 171.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -106.43 140.04 39.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.163 1.385 . . . . 0.0 109.624 173.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -77.18 137.61 38.97 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.256 0.623 . . . . 0.0 112.092 -172.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.4 -26.83 68.11 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -82.55 -15.16 53.32 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.1 mt -100.11 -13.05 19.15 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.937 1.295 . . . . 0.0 112.417 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.5 tpp -52.34 -43.74 64.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.372 1.469 . . . . 0.0 113.101 -173.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -55.18 -49.35 72.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.113 0.965 . . . . 0.0 112.221 174.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.04 -45.12 96.07 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.817 0.847 . . . . 0.0 110.779 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -66.11 -48.98 69.13 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.848 0.859 . . . . 0.0 112.777 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 m -66.29 -34.36 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.486 1.039 . . . . 0.0 111.747 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.6 t -70.01 -43.12 72.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.459 0.572 . . . . 0.0 111.831 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -54.42 -55.22 30.97 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.162 1.385 . . . . 0.0 110.245 169.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.4 t -61.58 -41.15 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.873 0.869 . . . . 0.0 112.391 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -63.1 -41.86 99.47 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.331 0.514 . . . . 0.0 112.164 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -81.58 -19.11 42.63 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -85.61 -56.95 3.26 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.067 0.947 . . . . 0.0 111.899 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 m -124.79 -0.95 7.94 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -169.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m 65.61 21.22 11.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.644 1.578 . . . . 0.0 113.183 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 63.9 28.47 14.57 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.98 1.712 . . . . 0.0 113.252 -171.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -110.93 118.83 37.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.162 1.385 . . . . 0.0 110.3 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.1 p -68.51 -26.57 65.51 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 119.171 -0.442 . . . . 0.0 111.99 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.9 m -77.93 -3.97 44.51 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -73.35 142.36 47.06 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.958 -1.089 . . . . 0.0 113.023 -173.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.5 p -145.21 155.4 43.23 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.14 1.776 . . . . 0.0 111.965 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -148.0 130.97 16.22 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.036 1.334 . . . . 0.0 111.319 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.9 m -87.89 144.3 26.65 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.907 1.283 . . . . 0.0 110.174 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -108.49 157.95 17.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.111 1.364 . . . . 0.0 111.533 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.77 -23.83 66.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.459 1.104 . . . . 0.0 113.311 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -68.83 -18.55 64.19 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.705 1.602 . . . . 0.0 114.136 173.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.32 -1.78 70.2 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.223 1.392 . . . . 0.0 114.267 -175.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.4 p -85.79 158.93 19.87 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.131 1.372 . . . . 0.0 111.21 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -126.37 152.46 46.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.685 1.194 . . . . 0.0 111.102 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -101.25 145.01 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 126.711 2.004 . . . . 0.0 109.946 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -143.64 150.23 38.45 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.019 1.327 . . . . 0.0 113.233 -172.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.98 -177.95 47.26 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 121.634 -0.666 . . . . 0.0 113.859 172.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.94 -13.85 60.5 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 -169.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -114.77 14.12 17.39 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.864 1.265 . . . . 0.0 111.388 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 45.23 58.94 3.78 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.275 1.83 . . . . 0.0 111.784 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mt -83.74 130.3 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.937 1.295 . . . . 0.0 110.074 -171.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -91.31 138.35 31.65 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -66.61 -10.41 45.45 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -83.93 -18.59 36.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.327 1.051 . . . . 0.0 113.146 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -132.64 -58.25 0.93 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -167.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -100.73 -52.22 3.38 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.737 0.815 . . . . 0.0 112.899 -167.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -101.38 162.7 12.71 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.313 1.445 . . . . 0.0 111.744 169.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.9 t -110.27 137.33 48.15 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.868 1.667 . . . . 0.0 112.685 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -10.94 59.76 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 176.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.18 -167.9 21.85 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.07 0.843 . . . . 0.0 113.453 -171.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.72 -9.72 59.69 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.5 m -140.31 152.12 66.08 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.418 1.887 . . . . 0.0 110.779 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -68.6 154.31 71.78 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.425 2.75 . . . . 0.0 110.875 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.34 41.16 0.02 OUTLIER Glycine 0 N--CA 1.475 1.264 0 N-CA-C 116.03 1.172 . . . . 0.0 116.03 -174.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -128.54 -173.3 2.92 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.331 1.853 . . . . 0.0 110.305 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.44 -26.44 61.18 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -169.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 63.3 m -106.16 7.1 31.46 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.571 1.149 . . . . 0.0 113.906 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.25 48.84 16.44 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.867 1.667 . . . . 0.0 112.521 172.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -151.06 152.67 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.409 1.484 . . . . 0.0 110.518 -171.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -106.58 136.4 46.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.135 1.774 . . . . 0.0 110.97 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.1 m -50.93 -36.64 39.58 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.174 1.389 . . . . 0.0 114.057 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -71.53 -32.01 67.69 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -71.17 -16.06 62.51 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.809 -1.182 . . . . 0.0 112.605 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.89 -13.92 60.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.386 0.675 . . . . 0.0 112.74 173.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.9 mt -94.97 8.84 41.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.361 1.464 . . . . 0.0 112.854 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.5 p -75.92 177.84 6.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.884 1.674 . . . . 0.0 112.131 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -90.66 12.19 19.76 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.927 1.291 . . . . 0.0 113.738 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -134.84 125.7 27.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.043 1.737 . . . . 0.0 108.295 169.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 pt -67.65 -13.67 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.485 1.114 . . . . 0.0 113.163 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -53.79 -35.66 61.6 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.086 1.754 . . . . 0.0 114.277 -170.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.12 -34.13 75.77 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.599 -0.688 . . . . 0.0 112.195 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.04 -39.9 15.2 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.913 1.285 . . . . 0.0 111.587 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.92 91.79 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.365 1.066 . . . . 0.0 113.217 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.99 -33.45 74.66 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.867 -1.145 . . . . 0.0 112.497 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 39.0 t -68.51 -36.42 78.85 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.057 0.943 . . . . 0.0 111.409 171.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.95 89.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.155 0.982 . . . . 0.0 112.663 170.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.1 -42.15 98.93 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.223 1.374 . . . . 0.0 112.252 171.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -65.38 -23.23 66.92 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.816 0.846 . . . . 0.0 113.107 177.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.6 mt -79.02 -47.34 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.882 0.873 . . . . 0.0 110.622 168.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -26.23 58.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.997 1.319 . . . . 0.0 113.725 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -58.23 -16.28 13.24 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.275 1.83 . . . . 0.0 115.152 169.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.8 mmt-85 -128.77 -31.69 2.17 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.595 1.558 . . . . 0.0 112.938 175.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.07 84.05 1.95 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.816 1.646 . . . . 0.0 110.494 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.56 -39.98 50.86 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -169.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -143.44 -6.53 0.8 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.601 1.56 . . . . 0.0 113.106 171.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -79.99 -12.66 59.69 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -169.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.03 -5.04 36.25 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.004 0.922 . . . . 0.0 113.304 171.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -128.1 143.62 51.07 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.773 1.629 . . . . 0.0 112.329 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -90.09 -30.95 17.35 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.79 1.236 . . . . 0.0 112.616 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.85 -18.99 60.41 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 125.317 1.437 . . . . 0.0 113.579 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -79.75 -70.65 0.5 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 117.964 0.882 . . . . 0.0 110.858 168.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -63.56 -22.61 66.99 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -82.16 -7.89 59.63 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -138.72 -44.55 0.48 Allowed 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -174.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.9 m -69.52 -19.18 63.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.438 1.495 . . . . 0.0 114.333 -173.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.96 -14.88 58.26 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.936 0.894 . . . . 0.0 112.333 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.59 -50.81 2.09 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.213 1.387 . . . . 0.0 112.072 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.3 t -166.73 152.55 8.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.475 1.11 . . . . 0.0 112.354 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 79.0 mt -117.38 152.74 49.7 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.515 1.526 . . . . 0.0 112.306 175.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -70.64 153.69 64.74 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.821 3.014 . . . . 0.0 110.735 171.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -82.52 149.57 27.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.252 1.025 . . . . 0.0 111.875 171.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.4 pt -132.65 0.21 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.104 2.162 . . . . 0.0 112.802 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 m -64.73 -12.26 45.09 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -172.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.9 p -88.56 -9.62 51.67 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.963 1.705 . . . . 0.0 114.049 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 39.9 m . . . . . 0 C--O 1.251 1.148 0 C-N-CA 125.979 1.712 . . . . 0.0 112.489 -175.51 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.101 0 N-CA-C 111.829 -0.508 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -154.56 161.87 41.42 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.566 1.546 . . . . 0.0 112.626 -170.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 m -112.31 132.42 54.98 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.044 1.338 . . . . 0.0 110.116 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -99.5 156.21 17.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.76 1.624 . . . . 0.0 111.006 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 t -94.93 162.14 13.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.937 1.295 . . . . 0.0 108.596 167.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -56.39 -48.05 77.69 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.342 0.974 . . . . 0.0 111.984 -174.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -61.04 -39.01 88.16 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.554 -0.717 . . . . 0.0 112.775 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.85 -45.66 91.88 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 123.92 0.771 . . . . 0.0 111.64 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.08 -49.21 75.38 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.933 1.293 . . . . 0.0 111.94 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.6 t -49.54 -45.69 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.919 0.888 . . . . 0.0 110.545 174.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -69.78 -41.98 74.38 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.133 0.973 . . . . 0.0 113.471 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -64.93 -37.33 87.29 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.606 1.162 . . . . 0.0 111.364 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.34 -39.16 54.69 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.865 0.866 . . . . 0.0 112.136 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -56.62 -41.27 76.81 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.877 -0.514 . . . . 0.0 111.544 171.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -64.06 -36.24 83.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.572 1.549 . . . . 0.0 112.725 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -91.45 4.53 52.27 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.357 1.463 . . . . 0.0 114.857 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.81 36.56 6.37 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.409 1.004 . . . . 0.0 114.464 171.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -99.89 137.42 38.37 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.902 1.281 . . . . 0.0 109.369 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -76.62 138.69 40.26 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.387 0.675 . . . . 0.0 111.983 -172.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.26 -26.86 68.05 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -82.6 -15.88 50.53 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.9 mt -99.22 -15.46 18.89 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.871 1.268 . . . . 0.0 112.324 173.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.9 tpp -50.85 -44.02 59.37 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.54 1.536 . . . . 0.0 112.999 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -55.21 -48.61 73.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.195 0.998 . . . . 0.0 112.564 174.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.78 -46.14 90.85 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.519 0.727 . . . . 0.0 110.736 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -64.38 -48.89 73.74 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.723 0.809 . . . . 0.0 112.533 -177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 m -67.08 -34.93 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.352 0.978 . . . . 0.0 111.802 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.03 -32.99 67.68 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.787 0.721 . . . . 0.0 112.701 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 tt -65.54 -54.39 28.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.943 1.697 . . . . 0.0 109.868 169.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 t -60.23 -40.11 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.851 0.86 . . . . 0.0 111.868 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -62.86 -28.71 70.22 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -87.15 -30.47 21.02 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.44 1.018 . . . . 0.0 113.49 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -79.89 -57.06 3.83 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.633 0.773 . . . . 0.0 111.421 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.1 p -116.16 -9.12 11.69 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -175.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m 63.67 27.97 14.91 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.854 1.261 . . . . 0.0 112.488 -168.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 70.8 29.85 3.06 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.42 1.488 . . . . 0.0 112.252 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -120.76 116.9 26.14 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.286 1.434 . . . . 0.0 111.649 -175.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -68.15 -26.97 66.04 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 122.199 -0.313 . . . . 0.0 111.629 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.5 m -74.0 -5.19 39.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -75.66 143.49 42.18 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.05 -1.031 . . . . 0.0 113.097 -172.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 p -143.19 153.49 42.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.562 1.945 . . . . 0.0 111.375 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -148.63 127.1 12.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.41 1.484 . . . . 0.0 110.624 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.9 m -96.02 138.72 33.25 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.946 1.298 . . . . 0.0 110.252 -176.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -101.82 159.34 15.42 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.382 1.473 . . . . 0.0 111.894 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -62.91 -24.38 67.82 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.394 1.078 . . . . 0.0 113.128 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -63.43 -28.24 69.84 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.919 1.688 . . . . 0.0 113.949 171.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.7 -11.08 59.31 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.446 1.498 . . . . 0.0 113.484 -169.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -71.47 160.03 33.45 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.618 1.209 . . . . 0.0 111.711 169.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -131.44 149.51 52.5 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.749 1.22 . . . . 0.0 111.064 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -101.03 142.17 32.87 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.326 1.85 . . . . 0.0 110.023 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -139.76 147.01 40.22 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.875 1.27 . . . . 0.0 113.261 -169.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.85 -176.31 53.01 Favored Glycine 0 N--CA 1.468 0.832 0 O-C-N 121.498 -0.751 . . . . 0.0 114.112 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -24.3 67.7 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -168.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -104.06 7.58 36.44 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.434 1.094 . . . . 0.0 111.927 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 50.31 59.38 4.6 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.77 1.628 . . . . 0.0 111.549 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.1 mt -85.08 134.88 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 125.231 1.412 . . . . 0.0 109.537 -173.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -96.58 138.1 34.66 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -169.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -65.36 -12.95 57.05 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -91.34 -16.14 27.95 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.606 1.162 . . . . 0.0 112.868 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -129.29 -33.58 1.91 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 116.896 2.184 . . . . 0.0 116.896 -167.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -137.5 -42.8 0.55 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -168.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.0 p -107.52 167.48 9.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.997 0.919 . . . . 0.0 111.525 168.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.37 137.76 53.52 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.649 1.18 . . . . 0.0 112.581 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 pttm -90.9 -9.24 46.96 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.728 1.751 . . . . 0.0 115.728 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.02 -166.08 20.63 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.204 0.906 . . . . 0.0 112.542 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.59 -3.56 35.02 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.7 m -145.18 152.49 50.94 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 125.989 1.716 . . . . 0.0 110.987 -174.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -69.34 161.18 46.91 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.369 2.712 . . . . 0.0 110.69 170.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.13 72.36 0.03 OUTLIER Glycine 0 N--CA 1.472 1.077 0 O-C-N 121.968 -0.457 . . . . 0.0 113.902 -176.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -153.18 -178.75 7.15 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.363 2.265 . . . . 0.0 110.671 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.93 -25.83 67.05 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.461 1.105 . . . . 0.0 113.333 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 34.2 m -99.67 -3.45 33.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.929 1.292 . . . . 0.0 113.864 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.1 t30 52.51 54.64 10.31 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.223 1.809 . . . . 0.0 113.207 172.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.16 147.52 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.581 1.152 . . . . 0.0 111.557 -172.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -99.77 135.25 41.47 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.044 1.737 . . . . 0.0 110.967 -177.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.7 m -48.67 -38.34 20.95 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.566 1.546 . . . . 0.0 113.397 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -24.55 61.91 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.305 1.842 . . . . 0.0 114.138 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -79.17 -7.41 58.19 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.405 1.002 . . . . 0.0 112.263 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.01 -15.78 37.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.983 0.913 . . . . 0.0 112.191 174.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.4 mt -93.54 4.6 53.69 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.717 1.607 . . . . 0.0 113.514 -177.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 t -84.34 -175.48 5.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.453 1.501 . . . . 0.0 112.013 -174.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -89.56 20.19 4.11 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.06 1.744 . . . . 0.0 113.218 -172.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -150.78 123.83 8.76 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.634 2.374 . . . . 0.0 109.404 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.4 pt -80.22 -13.05 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -169.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -27.14 69.21 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -166.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -63.97 -33.22 75.24 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.121 -0.987 . . . . 0.0 112.121 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.97 -39.71 19.39 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.88 0.872 . . . . 0.0 111.246 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.84 -42.21 86.13 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.42 -35.25 80.38 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.771 -1.206 . . . . 0.0 112.382 174.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.22 -37.27 80.66 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.917 0.887 . . . . 0.0 111.167 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.21 89.49 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.946 0.898 . . . . 0.0 112.513 170.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -62.86 -42.3 99.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.503 1.501 . . . . 0.0 112.523 170.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -63.28 -28.0 69.72 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.901 0.881 . . . . 0.0 112.744 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.31 -45.64 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.771 0.828 . . . . 0.0 111.45 169.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -28.72 62.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.772 1.229 . . . . 0.0 113.407 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -59.33 -22.94 62.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.799 1.64 . . . . 0.0 114.806 169.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -107.29 -42.36 4.86 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.125 1.77 . . . . 0.0 111.312 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -147.97 97.41 2.79 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.387 1.875 . . . . 0.0 110.494 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -53.04 -38.99 62.88 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -170.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -143.6 -18.17 0.61 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.887 1.275 . . . . 0.0 113.588 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.7 -14.83 62.6 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -173.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.19 -9.68 56.49 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.248 1.019 . . . . 0.0 113.716 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -120.21 122.98 42.14 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.34 1.456 . . . . 0.0 111.55 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -71.26 -31.56 67.66 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -171.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.27 -37.06 94.0 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 123.939 0.781 . . . . 0.0 112.688 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -64.34 -45.44 87.83 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.956 0.878 . . . . 0.0 112.623 177.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -77.46 -10.22 59.34 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -91.98 -35.52 13.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.88 1.272 . . . . 0.0 113.693 174.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 -27.46 1.22 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -169.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.46 -8.24 55.63 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.754 -1.216 . . . . 0.0 113.677 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -77.66 -22.54 50.45 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.447 1.099 . . . . 0.0 112.679 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.23 -35.47 7.53 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.125 0.869 . . . . 0.0 113.94 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 m -170.76 153.74 4.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.788 2.035 . . . . 0.0 111.082 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 89.2 mt -121.34 151.69 56.51 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.769 1.628 . . . . 0.0 111.123 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -72.02 152.13 56.73 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.82 3.013 . . . . 0.0 110.693 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -78.56 148.05 33.51 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 122.123 0.963 . . . . 0.0 111.611 170.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.6 pt -131.12 0.05 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.941 2.096 . . . . 0.0 112.715 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.0 m -64.42 -13.35 50.78 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -173.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.4 p -88.74 -10.25 49.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.994 1.718 . . . . 0.0 114.02 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.7 m . . . . . 0 C--O 1.254 1.307 0 C-N-CA 126.043 1.737 . . . . 0.0 112.317 -175.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 N-CA-C 112.371 -0.292 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -160.14 164.13 33.19 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.704 2.002 . . . . 0.0 112.288 -172.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.5 m -119.89 134.47 55.23 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.826 1.25 . . . . 0.0 110.708 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -101.59 160.68 14.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.626 1.57 . . . . 0.0 111.853 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t -104.67 161.93 13.72 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.919 1.688 . . . . 0.0 108.191 167.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -57.14 -48.81 77.77 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.236 0.925 . . . . 0.0 112.36 -171.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.8 p -63.96 -28.33 69.74 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.07 -48.63 31.45 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.176 0.893 . . . . 0.0 111.226 172.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.16 -47.72 83.27 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.605 1.162 . . . . 0.0 112.271 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -49.48 -45.73 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.217 0.917 . . . . 0.0 110.564 174.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -70.26 -41.73 73.08 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.062 0.945 . . . . 0.0 113.302 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.08 -40.48 95.96 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.514 1.126 . . . . 0.0 111.448 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.37 -38.4 63.18 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.217 1.007 . . . . 0.0 112.143 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -58.27 -39.69 79.89 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.401 0.546 . . . . 0.0 112.095 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -68.26 -29.68 68.53 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.789 0.836 . . . . 0.0 112.89 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -94.46 4.69 53.53 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.2 1.4 . . . . 0.0 114.51 -175.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.99 35.76 6.62 Favored Glycine 0 N--CA 1.472 1.094 0 C-N-CA 124.29 0.948 . . . . 0.0 114.394 171.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -100.09 137.79 38.05 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.844 1.258 . . . . 0.0 109.581 173.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -77.58 138.76 39.33 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.384 0.674 . . . . 0.0 111.897 -172.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.19 -26.92 68.05 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -82.48 -16.04 50.27 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.0 mt -99.39 -14.45 19.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.879 1.272 . . . . 0.0 112.407 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -51.43 -43.3 62.0 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.465 1.506 . . . . 0.0 113.034 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -55.03 -50.14 69.79 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.221 1.008 . . . . 0.0 112.521 173.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -60.31 -44.79 95.12 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.651 0.781 . . . . 0.0 110.707 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -66.91 -48.65 68.03 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.874 0.869 . . . . 0.0 112.969 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 m -66.09 -34.21 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.369 0.986 . . . . 0.0 111.683 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.5 t -70.45 -43.63 69.45 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.518 0.599 . . . . 0.0 111.871 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.16 -55.37 24.67 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.376 1.471 . . . . 0.0 110.304 169.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -62.07 -42.41 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.72 0.808 . . . . 0.0 112.087 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -62.97 -38.03 89.46 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -83.9 -17.48 40.62 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -87.08 -56.9 3.17 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.123 0.969 . . . . 0.0 112.158 174.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.1 p -117.86 -9.77 10.58 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -173.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 m 67.98 24.01 8.05 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.7 1.6 . . . . 0.0 112.356 -168.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 66.59 33.9 6.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.113 1.765 . . . . 0.0 112.406 -174.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -116.78 115.59 25.88 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.515 1.126 . . . . 0.0 110.896 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.7 p -67.53 -28.04 67.47 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 122.447 -0.158 . . . . 0.0 111.017 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.7 m -73.1 -5.87 41.93 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -75.65 143.57 42.15 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.991 -1.068 . . . . 0.0 113.244 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 p -146.99 152.67 39.0 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.435 1.894 . . . . 0.0 111.405 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -150.54 125.1 9.63 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.328 1.451 . . . . 0.0 111.224 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.0 m -87.38 140.04 29.94 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.939 1.296 . . . . 0.0 110.054 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -104.27 161.48 14.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.875 1.27 . . . . 0.0 112.625 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -64.69 -23.08 67.14 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.429 1.092 . . . . 0.0 113.247 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -85.57 5.51 31.3 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.731 1.612 . . . . 0.0 113.481 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.82 -1.71 88.41 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 125.715 1.626 . . . . 0.0 115.486 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.0 p -82.3 170.86 14.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.729 1.212 . . . . 0.0 111.84 170.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -134.09 147.97 50.95 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.472 1.109 . . . . 0.0 110.903 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -101.66 143.01 32.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.292 1.837 . . . . 0.0 109.969 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -140.05 149.51 43.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.306 1.442 . . . . 0.0 112.928 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.54 -176.97 51.89 Favored Glycine 0 N--CA 1.468 0.825 0 O-C-N 121.392 -0.818 . . . . 0.0 114.216 169.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.82 -24.29 67.69 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 -168.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -104.54 7.18 35.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.373 1.069 . . . . 0.0 111.638 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 51.32 60.08 4.13 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.85 1.66 . . . . 0.0 111.385 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.7 mt -87.03 136.94 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 125.538 1.535 . . . . 0.0 110.265 -172.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -93.42 138.88 31.31 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -169.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -67.01 -11.13 56.14 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -99.88 -12.47 19.82 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.755 1.222 . . . . 0.0 112.948 -176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -131.67 -27.31 1.93 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 -167.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -138.78 -55.83 0.61 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.183 0.901 . . . . 0.0 112.118 -168.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -98.36 174.69 6.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.774 1.23 . . . . 0.0 111.231 168.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.23 140.66 51.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.338 1.055 . . . . 0.0 112.737 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -85.12 -12.97 51.68 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -171.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.64 -164.5 19.4 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.086 0.851 . . . . 0.0 112.716 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.56 -6.73 54.69 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.5 m -138.67 150.07 64.6 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 125.883 1.673 . . . . 0.0 111.514 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -70.0 158.47 56.53 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.728 2.952 . . . . 0.0 110.741 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.38 37.32 0.02 OUTLIER Glycine 0 N--CA 1.475 1.277 0 N-CA-C 118.502 2.161 . . . . 0.0 118.502 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -127.92 -165.53 1.5 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.824 1.312 . . . . 0.0 111.888 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.4 -21.92 52.21 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -169.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 62.1 m -109.54 3.85 21.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.599 1.16 . . . . 0.0 114.117 176.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.9 m120 58.15 44.93 18.31 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.646 1.578 . . . . 0.0 112.934 169.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.5 p -148.87 153.53 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.365 1.466 . . . . 0.0 110.656 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -103.96 136.05 44.32 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.915 1.686 . . . . 0.0 111.267 -174.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.6 m -51.66 -37.01 48.62 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.254 1.422 . . . . 0.0 113.771 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -74.02 -28.42 61.43 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -18.65 63.76 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.863 -1.148 . . . . 0.0 112.662 174.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.1 -13.45 59.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.033 0.933 . . . . 0.0 112.308 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.2 mt -94.21 8.5 41.5 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.688 1.595 . . . . 0.0 112.995 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.6 p -89.37 -169.82 2.63 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.176 1.39 . . . . 0.0 112.505 -172.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -92.36 2.24 56.76 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.574 1.949 . . . . 0.0 115.101 -171.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -130.42 123.83 30.72 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.317 1.447 . . . . 0.0 109.396 169.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.4 pt -68.32 -13.74 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.493 1.117 . . . . 0.0 113.097 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.9 t -55.21 -30.99 61.07 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.948 1.299 . . . . 0.0 113.89 -171.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -34.05 77.02 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.151 0.887 . . . . 0.0 111.309 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.06 -38.76 14.14 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.998 1.319 . . . . 0.0 111.762 176.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.0 -40.95 74.96 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.67 0.788 . . . . 0.0 113.085 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -71.1 -30.42 66.51 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.798 -1.188 . . . . 0.0 111.759 175.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.3 t -67.77 -37.56 82.26 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.323 1.049 . . . . 0.0 111.264 169.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.7 89.15 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.252 1.021 . . . . 0.0 112.6 171.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.47 -40.82 97.87 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.108 1.322 . . . . 0.0 112.266 170.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -67.98 -24.38 65.13 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.244 1.018 . . . . 0.0 113.249 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.3 mt -75.2 -45.45 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.847 0.859 . . . . 0.0 109.987 168.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -24.7 57.71 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.492 1.517 . . . . 0.0 113.87 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -56.03 -28.83 59.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.476 1.51 . . . . 0.0 114.331 169.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -115.21 -32.38 5.69 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.469 1.508 . . . . 0.0 112.886 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -143.57 83.66 1.77 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.111 1.765 . . . . 0.0 110.551 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -51.67 -40.25 59.69 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -170.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -141.93 -3.54 1.1 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.512 1.525 . . . . 0.0 113.037 169.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.77 -16.93 61.15 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.303 1.841 . . . . 0.0 114.431 -167.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.22 -4.91 55.05 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.819 1.248 . . . . 0.0 113.703 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 -124.66 139.84 53.49 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.036 1.334 . . . . 0.0 113.002 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -87.43 -32.69 19.38 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.471 1.108 . . . . 0.0 112.522 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.29 -20.59 63.28 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.841 1.21 . . . . 0.0 113.111 175.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -80.33 -66.57 0.86 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 117.85 0.825 . . . . 0.0 111.122 168.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -62.87 -25.95 68.54 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -170.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -81.46 -9.91 59.61 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -137.21 -45.96 0.56 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -174.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.0 m -68.69 -19.76 64.39 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.14 1.376 . . . . 0.0 114.355 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -80.99 -13.97 58.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.065 0.946 . . . . 0.0 112.336 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.47 -47.55 1.97 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 125.457 1.504 . . . . 0.0 112.781 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.4 m -165.37 151.4 9.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.533 1.533 . . . . 0.0 112.1 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 81.2 mt -120.64 153.06 56.47 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 125.343 1.457 . . . . 0.0 112.186 174.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.42 155.11 60.44 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.925 3.083 . . . . 0.0 110.769 172.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -83.08 149.13 27.1 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 122.228 1.013 . . . . 0.0 111.784 171.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.92 0.29 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 127.082 2.153 . . . . 0.0 112.7 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.0 m -64.34 -12.68 44.68 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -171.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.4 p -89.56 -8.97 51.54 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.036 1.734 . . . . 0.0 114.117 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.0 m . . . . . 0 C--O 1.252 1.19 0 C-N-CA 126.181 1.792 . . . . 0.0 112.523 -173.847 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 N-CA-C 111.914 -0.475 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -156.76 163.77 38.87 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.801 1.64 . . . . 0.0 112.513 -172.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 m -108.35 131.77 54.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.672 1.189 . . . . 0.0 110.659 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -96.35 155.56 16.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.228 1.811 . . . . 0.0 110.578 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -94.92 159.71 14.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.035 1.334 . . . . 0.0 108.722 168.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.31 -48.72 76.11 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.41 1.005 . . . . 0.0 112.292 -172.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.3 p -64.08 -30.58 71.64 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.15 -45.72 54.53 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.272 0.939 . . . . 0.0 111.391 173.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.1 -49.61 75.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.249 1.419 . . . . 0.0 111.813 174.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.7 t -49.08 -46.32 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.004 0.921 . . . . 0.0 110.52 173.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -69.09 -42.79 75.69 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.84 0.856 . . . . 0.0 113.24 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.19 -40.14 96.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.283 1.033 . . . . 0.0 111.322 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -73.24 -38.31 66.07 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 121.259 -0.901 . . . . 0.0 112.116 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -57.97 -40.03 79.62 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.839 -0.538 . . . . 0.0 111.856 171.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -66.96 -37.25 83.93 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.999 0.92 . . . . 0.0 112.38 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -87.5 4.58 42.89 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -174.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.25 35.94 6.46 Favored Glycine 0 N--CA 1.472 1.058 0 C-N-CA 124.471 1.034 . . . . 0.0 114.589 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -98.65 138.66 35.51 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.819 1.248 . . . . 0.0 109.74 174.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -72.68 134.76 45.22 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.62 0.768 . . . . 0.0 111.8 -174.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.33 -28.86 68.48 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -77.81 -17.52 57.36 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.1 mt -101.4 -11.64 19.22 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.229 1.412 . . . . 0.0 112.669 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.4 tpp -53.53 -42.59 67.6 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.082 1.353 . . . . 0.0 112.692 -173.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -55.4 -49.76 71.51 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.178 0.991 . . . . 0.0 112.04 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.03 -43.79 98.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.954 1.301 . . . . 0.0 110.795 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -66.96 -50.24 62.95 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.19 0.996 . . . . 0.0 112.909 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -65.76 -33.96 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.57 1.077 . . . . 0.0 111.699 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -69.77 -43.77 71.51 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.482 0.583 . . . . 0.0 111.503 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.3 -52.37 63.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.522 1.129 . . . . 0.0 110.616 170.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.21 -40.88 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.661 0.784 . . . . 0.0 111.958 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -63.35 -39.32 94.2 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -83.29 -16.67 45.36 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -90.89 -56.84 3.03 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.465 1.106 . . . . 0.0 112.003 174.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 m -126.67 3.93 6.76 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m 60.09 25.36 14.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.571 1.548 . . . . 0.0 113.688 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 mtm-85 68.82 24.84 6.41 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.109 1.764 . . . . 0.0 113.266 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -116.95 120.19 37.65 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.124 1.77 . . . . 0.0 110.83 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.0 p -69.37 -26.41 64.65 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 119.09 -0.481 . . . . 0.0 112.224 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -76.12 -3.83 38.23 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -74.84 140.56 44.0 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.956 -1.09 . . . . 0.0 113.317 -172.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.4 p -143.2 155.83 44.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.273 1.829 . . . . 0.0 111.881 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -150.53 130.49 13.39 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.19 1.396 . . . . 0.0 111.305 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.6 m -86.16 142.86 28.33 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.444 1.098 . . . . 0.0 109.918 176.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -102.11 157.01 17.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.306 1.443 . . . . 0.0 111.717 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -63.21 -22.6 66.97 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.179 0.991 . . . . 0.0 113.095 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -84.93 2.8 41.18 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.785 1.634 . . . . 0.0 113.689 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.25 -2.87 85.47 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.602 1.572 . . . . 0.0 115.781 172.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.3 p -86.35 163.83 17.43 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.834 1.254 . . . . 0.0 111.65 171.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -125.03 151.12 46.02 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.423 1.089 . . . . 0.0 111.288 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -101.91 145.62 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.525 1.93 . . . . 0.0 110.041 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -143.91 148.11 34.95 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.194 1.398 . . . . 0.0 113.137 -171.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.9 -177.96 49.3 Favored Glycine 0 N--CA 1.468 0.772 0 O-C-N 121.596 -0.69 . . . . 0.0 113.794 172.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -14.21 61.21 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 -168.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.77 15.23 17.52 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.845 1.258 . . . . 0.0 111.458 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 45.2 57.62 4.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.1 1.76 . . . . 0.0 111.745 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.4 mt -82.77 133.62 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.83 1.252 . . . . 0.0 109.917 -172.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -95.72 137.6 34.57 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -169.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -65.18 -13.41 58.14 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -175.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -89.01 -13.36 38.98 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.007 0.923 . . . . 0.0 112.926 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -130.65 -61.85 0.94 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -168.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -101.73 -51.97 3.31 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.685 0.794 . . . . 0.0 112.698 -167.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.4 p -101.35 169.08 9.12 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.329 1.452 . . . . 0.0 112.754 172.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.3 t -117.19 132.35 56.66 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.043 1.737 . . . . 0.0 112.108 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -83.95 -10.92 57.57 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.13 -159.98 17.13 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.29 0.948 . . . . 0.0 113.281 -169.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.55 -8.02 55.67 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -150.91 151.24 29.57 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 125.444 1.497 . . . . 0.0 111.576 -171.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -67.59 147.15 75.87 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.209 2.606 . . . . 0.0 109.755 169.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.95 29.23 0.02 OUTLIER Glycine 0 N--CA 1.475 1.292 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 -171.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -119.01 -168.87 1.63 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.264 1.425 . . . . 0.0 110.723 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.54 -29.24 66.18 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -168.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.6 m -104.52 7.69 35.33 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.1 t30 54.24 49.67 18.1 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.903 1.681 . . . . 0.0 112.749 171.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.3 p -149.77 143.99 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.331 1.452 . . . . 0.0 110.248 -171.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -94.41 134.47 36.89 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.079 1.352 . . . . 0.0 110.913 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.6 m -48.03 -36.6 13.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.068 1.747 . . . . 0.0 113.886 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -69.81 -31.61 69.6 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -73.01 -10.46 59.83 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 120.549 -1.345 . . . . 0.0 112.272 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 mt -81.21 -14.73 57.22 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.465 -0.772 . . . . 0.0 112.283 170.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.7 mt -95.05 7.85 44.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.498 1.519 . . . . 0.0 112.932 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.7 t -80.47 -178.28 6.61 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.528 1.531 . . . . 0.0 111.95 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -92.35 10.87 28.01 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.42 1.488 . . . . 0.0 113.88 -170.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -135.27 127.12 29.38 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.102 1.761 . . . . 0.0 108.179 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.3 pt -68.77 -13.95 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 124.807 1.243 . . . . 0.0 113.048 -174.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t -52.21 -37.34 54.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.302 1.841 . . . . 0.0 114.462 -170.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -63.65 -32.03 73.38 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.279 0.632 . . . . 0.0 112.369 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -41.35 13.89 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.898 1.279 . . . . 0.0 111.298 174.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.66 97.09 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.584 1.154 . . . . 0.0 113.117 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.62 -33.27 72.42 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.12 -0.987 . . . . 0.0 112.714 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 25.4 t -67.36 -38.49 84.87 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.954 0.902 . . . . 0.0 111.222 171.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.89 -35.22 77.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.447 1.099 . . . . 0.0 113.078 173.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.64 -40.5 95.12 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.359 1.436 . . . . 0.0 112.636 171.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -69.52 -20.9 63.69 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.529 -0.732 . . . . 0.0 112.925 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 92.3 mt -77.88 -48.65 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.281 -0.887 . . . . 0.0 109.719 168.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -28.67 62.66 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.928 1.291 . . . . 0.0 114.027 178.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -58.62 -23.75 59.6 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.971 2.108 . . . . 0.0 114.193 172.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -115.81 -34.18 4.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.874 1.67 . . . . 0.0 112.567 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -144.68 82.92 1.69 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.888 2.075 . . . . 0.0 110.176 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -43.89 2.9 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.213 1.805 . . . . 0.0 114.31 -171.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -144.46 -4.42 0.78 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.307 1.843 . . . . 0.0 112.767 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -12.84 60.03 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.627 1.971 . . . . 0.0 113.944 -167.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.42 -5.86 55.6 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.961 1.304 . . . . 0.0 113.602 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -121.62 137.27 54.81 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.45 1.5 . . . . 0.0 112.276 -174.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -83.95 -37.09 22.73 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -170.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -65.18 -28.91 74.11 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 123.781 0.705 . . . . 0.0 112.398 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -66.18 -45.36 81.14 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -81.49 -15.92 53.5 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -95.28 -29.09 14.67 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.471 1.108 . . . . 0.0 113.844 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -126.94 -46.07 1.56 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 55.3 m -69.92 -7.19 38.37 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -172.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -74.04 -23.28 59.37 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.132 0.973 . . . . 0.0 112.682 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.83 -39.75 7.43 Favored Glycine 0 N--CA 1.471 1.0 0 C-N-CA 123.959 0.79 . . . . 0.0 113.588 -176.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.9 t -169.87 152.43 4.46 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.478 1.511 . . . . 0.0 111.414 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.4 mt -120.93 149.34 50.72 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.991 1.716 . . . . 0.0 111.417 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -73.58 166.31 30.13 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 124.001 3.134 . . . . 0.0 112.198 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.13 144.68 38.27 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.145 0.978 . . . . 0.0 112.552 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.1 pt -128.07 -4.91 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.867 1.667 . . . . 0.0 113.401 171.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 96.0 p -69.13 -16.12 63.58 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.802 -1.186 . . . . 0.0 113.245 -178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.9 m -84.65 -3.44 58.51 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.128 1.371 . . . . 0.0 113.67 170.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.642 1.577 . . . . 0.0 112.419 -173.474 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.304 0 N-CA-C 112.244 -0.342 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -157.72 163.5 38.08 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.189 1.796 . . . . 0.0 112.494 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -106.3 134.11 49.96 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.827 1.251 . . . . 0.0 110.427 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -99.07 156.44 16.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.225 1.81 . . . . 0.0 110.628 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.7 t -95.63 159.63 14.9 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.863 1.265 . . . . 0.0 108.571 168.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.13 -45.64 79.5 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.285 0.948 . . . . 0.0 111.959 -175.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.5 m -61.33 -35.83 78.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.5 -44.25 51.04 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 124.188 0.899 . . . . 0.0 111.527 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.74 -48.8 77.63 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.043 1.337 . . . . 0.0 111.875 176.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.2 t -49.94 -45.98 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 119.082 0.856 . . . . 0.0 110.553 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -69.18 -44.22 72.65 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.998 0.919 . . . . 0.0 113.23 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.2 -42.39 98.5 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.357 1.063 . . . . 0.0 110.993 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.51 -40.23 70.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.887 0.875 . . . . 0.0 112.219 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -56.36 -40.95 75.35 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 118.272 0.487 . . . . 0.0 111.845 172.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -72.33 -26.37 61.91 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.944 0.898 . . . . 0.0 113.253 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -92.34 6.14 47.98 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.192 1.397 . . . . 0.0 114.187 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.96 23.03 21.59 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.741 1.162 . . . . 0.0 115.321 169.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -89.15 137.6 32.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.431 1.116 . . . . 0.0 109.923 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -74.6 136.52 42.03 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.683 0.793 . . . . 0.0 111.974 -174.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.36 -27.85 67.72 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -79.25 -19.11 51.44 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.0 mt -97.49 -17.2 19.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.006 1.322 . . . . 0.0 112.391 175.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.1 tpp -49.25 -44.44 43.71 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.164 1.786 . . . . 0.0 113.536 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -56.95 -46.57 82.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.173 0.989 . . . . 0.0 112.912 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -63.88 -44.52 92.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.193 0.597 . . . . 0.0 111.225 173.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -64.55 -49.13 72.42 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.696 -0.669 . . . . 0.0 112.697 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 m -65.95 -35.27 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.465 1.029 . . . . 0.0 111.786 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -71.49 -41.25 69.54 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.669 0.668 . . . . 0.0 111.735 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 tt -56.38 -52.95 62.72 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.967 1.307 . . . . 0.0 110.269 169.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.96 -39.99 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.662 0.785 . . . . 0.0 112.019 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -63.19 -40.71 98.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -81.39 -18.76 44.37 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -90.0 -57.25 2.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.261 1.024 . . . . 0.0 111.938 175.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 m -125.65 5.35 7.49 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -170.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m 60.4 22.35 11.93 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.311 1.445 . . . . 0.0 113.841 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 68.41 26.46 6.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.738 1.615 . . . . 0.0 112.903 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -117.67 118.47 32.19 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.838 1.655 . . . . 0.0 111.172 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.8 p -68.89 -26.24 65.01 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -74.96 -5.48 44.12 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -70.76 136.83 49.14 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.801 -1.187 . . . . 0.0 112.645 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -143.01 148.98 37.67 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.896 2.079 . . . . 0.0 111.472 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -149.54 128.76 12.83 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.86 1.264 . . . . 0.0 111.691 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -87.96 141.26 28.72 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.762 1.225 . . . . 0.0 110.252 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -102.38 157.81 16.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.479 1.512 . . . . 0.0 112.085 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -57.1 -30.57 64.48 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.641 1.176 . . . . 0.0 113.904 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -74.7 -4.4 37.18 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 126.493 1.917 . . . . 0.0 114.066 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.25 81.99 Favored Glycine 0 N--CA 1.475 1.299 0 C-N-CA 125.531 1.539 . . . . 0.0 115.217 173.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 p -89.59 163.1 15.32 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.548 1.539 . . . . 0.0 111.656 172.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -122.59 149.91 43.33 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.566 1.146 . . . . 0.0 111.158 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -100.12 144.4 29.2 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.756 2.022 . . . . 0.0 110.147 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.45 148.31 37.53 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.332 1.453 . . . . 0.0 112.726 -171.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.07 -177.34 48.4 Favored Glycine 0 N--CA 1.469 0.863 0 O-C-N 121.536 -0.727 . . . . 0.0 114.081 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -13.2 60.15 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 -168.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -115.54 15.55 16.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.864 1.266 . . . . 0.0 111.44 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 44.23 58.49 3.71 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.233 1.813 . . . . 0.0 111.794 -176.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.2 mt -83.92 132.81 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.555 1.142 . . . . 0.0 110.27 -171.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -94.15 138.88 31.69 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -169.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.14 -12.15 53.89 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -175.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -94.94 -15.38 23.64 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.327 1.051 . . . . 0.0 113.175 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -128.67 -27.5 2.58 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 116.797 2.147 . . . . 0.0 116.797 -167.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -138.47 -56.89 0.64 Allowed 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.312 0.96 . . . . 0.0 112.693 -168.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 p -97.5 168.62 10.26 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.033 1.333 . . . . 0.0 111.85 169.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 t -117.88 133.83 55.54 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.385 1.474 . . . . 0.0 112.136 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -83.01 -12.62 57.09 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.75 -170.73 29.53 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.177 0.894 . . . . 0.0 112.416 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.64 -4.5 19.66 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -173.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.3 p -156.33 155.3 28.74 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 127.003 2.121 . . . . 0.0 110.289 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.62 151.28 69.84 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.877 2.385 . . . . 0.0 110.351 175.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.72 32.73 0.02 OUTLIER Glycine 0 N--CA 1.477 1.389 0 N-CA-C 117.697 1.839 . . . . 0.0 117.697 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -121.9 -168.86 1.78 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.191 1.396 . . . . 0.0 110.622 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.62 -23.96 63.43 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -169.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.8 m -105.95 4.04 29.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.668 1.187 . . . . 0.0 113.871 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.3 t30 54.1 50.61 16.21 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.107 1.763 . . . . 0.0 112.675 173.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.2 p -150.43 148.8 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.61 1.564 . . . . 0.0 109.863 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.2 tttt -99.92 135.55 41.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.375 1.47 . . . . 0.0 110.8 -175.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.9 m -49.98 -37.16 31.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.804 1.642 . . . . 0.0 114.05 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -73.64 -29.18 62.19 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.697 -0.627 . . . . 0.0 112.571 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -13.02 62.0 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.96 -1.088 . . . . 0.0 113.001 173.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.6 mt -81.89 -11.47 58.9 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.907 0.883 . . . . 0.0 112.358 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.4 mt -97.48 7.37 46.63 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.461 1.505 . . . . 0.0 113.096 -174.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.4 p -80.85 -177.12 6.22 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.051 1.34 . . . . 0.0 112.63 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.52 -8.22 59.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.545 1.538 . . . . 0.0 114.892 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -114.94 125.98 54.25 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.126 1.371 . . . . 0.0 109.61 169.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.9 pt -69.49 -14.08 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.437 1.495 . . . . 0.0 113.336 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.8 t -53.45 -33.46 54.19 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.156 1.382 . . . . 0.0 114.702 -168.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -31.89 72.94 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.166 0.893 . . . . 0.0 111.872 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.24 -40.33 16.75 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.464 1.105 . . . . 0.0 110.74 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.35 79.31 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.076 0.951 . . . . 0.0 113.414 -177.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -67.62 -36.34 80.62 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.844 -1.16 . . . . 0.0 112.878 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.4 t -74.01 -31.87 63.12 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.772 1.629 . . . . 0.0 111.054 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.92 93.87 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.53 1.132 . . . . 0.0 111.745 168.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -42.01 95.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.874 1.216 . . . . 0.0 112.812 172.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -66.6 -24.06 66.27 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.137 0.975 . . . . 0.0 112.901 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 80.2 mt -78.66 -47.1 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.831 0.852 . . . . 0.0 110.248 168.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -27.01 53.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.363 1.465 . . . . 0.0 113.653 176.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.29 -17.66 5.01 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.853 2.061 . . . . 0.0 115.149 169.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -130.47 -29.67 1.96 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.699 1.599 . . . . 0.0 113.216 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -140.69 82.49 1.85 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.168 1.787 . . . . 0.0 110.409 -175.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -51.05 -40.38 58.17 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -169.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -140.7 -4.83 1.21 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.542 1.537 . . . . 0.0 112.885 170.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.28 -17.49 60.85 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.456 1.902 . . . . 0.0 114.457 -167.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.78 -5.61 53.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.589 1.156 . . . . 0.0 113.718 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.7 m-90 -124.84 122.55 37.72 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.932 1.293 . . . . 0.0 111.985 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -70.8 -32.78 69.97 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -171.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.47 -30.72 78.43 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 123.83 0.729 . . . . 0.0 112.673 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -70.25 -46.33 64.64 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.029 0.915 . . . . 0.0 112.579 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -77.87 -12.36 59.97 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -98.32 -29.92 12.89 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.466 1.106 . . . . 0.0 113.897 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -124.4 -43.47 2.05 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 69.3 m -69.14 -9.09 51.1 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -75.28 -21.68 58.33 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.156 0.982 . . . . 0.0 112.651 175.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.16 -44.56 5.61 Favored Glycine 0 C--N 1.344 0.974 0 C-N-CA 124.08 0.848 . . . . 0.0 112.999 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.5 t -169.75 157.2 6.79 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.711 1.605 . . . . 0.0 111.195 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.73 150.72 53.22 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.695 1.598 . . . . 0.0 111.839 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -69.94 145.86 57.37 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.767 2.978 . . . . 0.0 110.39 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -80.78 152.22 28.4 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 122.444 1.116 . . . . 0.0 111.248 172.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.2 pt -135.85 1.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 127.317 2.247 . . . . 0.0 112.547 -172.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 99.7 p -58.2 -19.98 37.74 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.9 m -80.75 -8.67 59.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.124 1.37 . . . . 0.0 114.054 173.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.25 1.097 0 C-N-CA 125.803 1.641 . . . . 0.0 112.157 -175.108 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.313 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -158.38 166.07 33.16 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.139 1.776 . . . . 0.0 112.503 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 m -108.03 130.4 55.08 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.849 1.26 . . . . 0.0 110.016 175.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -94.42 158.82 15.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.955 1.702 . . . . 0.0 110.907 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -99.15 158.88 15.37 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.152 1.381 . . . . 0.0 108.597 168.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -56.07 -45.74 79.23 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.32 0.964 . . . . 0.0 111.984 -175.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.6 m -61.89 -33.46 74.26 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.13 -45.5 31.39 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 124.216 0.912 . . . . 0.0 111.421 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.23 -48.82 78.29 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.153 1.381 . . . . 0.0 111.971 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.9 t -50.42 -45.56 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.07 0.85 . . . . 0.0 110.585 174.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -69.52 -43.38 73.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.033 0.933 . . . . 0.0 113.268 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.47 -38.79 91.2 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.762 1.225 . . . . 0.0 111.248 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.77 -40.5 55.19 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.814 0.846 . . . . 0.0 112.268 176.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -55.84 -41.29 74.06 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.366 0.53 . . . . 0.0 111.609 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -66.41 -39.26 88.88 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.412 1.885 . . . . 0.0 112.423 173.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -85.03 -1.32 56.69 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -176.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.03 39.94 3.67 Favored Glycine 0 N--CA 1.472 1.092 0 C-N-CA 124.74 1.162 . . . . 0.0 114.509 172.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -104.2 139.22 39.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.2 1.4 . . . . 0.0 109.518 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -76.87 137.9 39.44 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.398 0.679 . . . . 0.0 111.898 -172.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.25 -26.85 68.04 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -82.31 -15.43 52.94 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.9 mt -100.31 -13.99 18.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.877 1.271 . . . . 0.0 112.344 173.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.2 tpp -51.47 -44.35 62.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.383 1.473 . . . . 0.0 112.961 -174.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -55.76 -48.03 75.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.123 0.969 . . . . 0.0 112.558 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -61.31 -46.44 90.27 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.703 0.801 . . . . 0.0 110.576 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -65.41 -49.4 69.38 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.948 0.899 . . . . 0.0 112.715 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.2 m -65.91 -34.11 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 119.319 0.963 . . . . 0.0 111.761 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -72.17 -42.12 66.26 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.637 0.653 . . . . 0.0 111.942 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.63 -53.07 59.62 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.507 1.523 . . . . 0.0 110.347 169.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 t -60.82 -42.05 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.784 0.834 . . . . 0.0 111.584 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -64.12 -30.42 71.48 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -85.28 -22.23 28.67 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -91.55 -55.46 3.49 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.092 0.957 . . . . 0.0 112.337 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.8 p -111.43 -16.32 13.36 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.3 m 66.99 28.49 8.46 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.721 1.208 . . . . 0.0 111.588 -166.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 74.5 29.76 1.15 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.372 1.869 . . . . 0.0 112.347 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -117.65 115.36 24.92 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.05 1.34 . . . . 0.0 111.964 -173.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.9 p -69.44 -26.46 64.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 122.096 -0.378 . . . . 0.0 111.591 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.2 m -74.94 -2.36 26.68 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -71.85 142.93 49.58 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 121.064 -1.022 . . . . 0.0 113.315 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.3 p -153.15 150.74 29.39 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 127.984 2.513 . . . . 0.0 111.197 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -157.32 123.01 4.67 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.138 1.775 . . . . 0.0 110.292 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 m -89.92 137.51 32.27 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.712 1.205 . . . . 0.0 110.267 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -106.01 162.67 13.4 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.212 1.405 . . . . 0.0 112.595 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -64.07 -24.17 67.6 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.538 1.135 . . . . 0.0 113.304 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.86 -14.98 61.61 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.59 1.556 . . . . 0.0 113.783 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.8 -1.37 74.79 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.451 1.5 . . . . 0.0 114.127 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.4 p -81.25 173.73 12.21 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.873 1.269 . . . . 0.0 111.728 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -143.9 153.39 42.26 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.87 1.268 . . . . 0.0 111.184 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.79 148.81 26.13 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.701 0.8 . . . . 0.0 110.924 169.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -143.0 139.11 30.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.105 1.362 . . . . 0.0 112.17 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.85 -172.45 53.11 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 115.872 1.109 . . . . 0.0 115.872 168.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.77 -19.19 62.73 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -169.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.05 14.55 17.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.009 1.724 . . . . 0.0 111.542 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 56.04 49.06 16.43 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.521 1.929 . . . . 0.0 111.447 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.2 mt -80.0 134.43 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 124.389 1.076 . . . . 0.0 110.136 -169.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -101.08 136.27 41.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.558 0.694 . . . . 0.0 112.524 -171.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -64.79 -12.23 45.43 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.086 1.884 . . . . 0.0 116.086 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -81.94 -18.52 43.27 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.517 1.127 . . . . 0.0 112.804 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -131.0 -59.41 0.99 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -167.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -102.55 -51.8 3.24 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.785 0.834 . . . . 0.0 113.158 -166.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.0 p -100.8 167.71 10.12 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.215 1.406 . . . . 0.0 112.911 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -114.83 131.21 56.9 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.765 1.626 . . . . 0.0 112.121 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -84.85 -10.35 57.24 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.11 -159.78 19.96 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.413 1.006 . . . . 0.0 113.369 -170.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.88 -2.28 32.68 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.2 p -158.19 153.69 22.42 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.229 1.411 . . . . 0.0 112.105 -172.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -69.94 146.89 60.42 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.447 2.765 . . . . 0.0 110.233 171.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.2 29.98 0.02 OUTLIER Glycine 0 N--CA 1.475 1.299 0 N-CA-C 117.321 1.688 . . . . 0.0 117.321 -171.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -119.34 -168.91 1.66 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.383 1.473 . . . . 0.0 110.773 175.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.75 -26.06 63.62 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -168.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 65.6 m -107.19 5.9 28.18 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.66 1.184 . . . . 0.0 113.944 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 54.16 50.18 17.08 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.941 1.696 . . . . 0.0 112.753 172.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.2 p -150.25 143.49 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.25 1.42 . . . . 0.0 110.397 -172.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -92.26 134.6 34.74 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.946 1.298 . . . . 0.0 111.182 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 72.5 m -48.63 -36.19 15.31 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.232 1.813 . . . . 0.0 114.142 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -68.99 -33.3 73.46 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.8 -9.73 58.99 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.758 -1.214 . . . . 0.0 112.478 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -81.41 -14.74 56.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.905 0.775 . . . . 0.0 112.439 171.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 mt -96.02 10.94 35.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.258 1.423 . . . . 0.0 113.095 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -85.58 -178.33 6.64 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.715 1.606 . . . . 0.0 112.204 -176.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -86.75 -6.57 58.79 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -171.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -117.68 126.46 52.53 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.154 1.382 . . . . 0.0 109.252 168.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.2 pt -68.29 -14.01 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.69 1.196 . . . . 0.0 113.336 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.7 t -51.95 -37.51 53.13 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.984 1.714 . . . . 0.0 114.489 -169.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.59 -32.62 74.14 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.27 0.628 . . . . 0.0 112.114 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.74 -38.94 16.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.997 1.319 . . . . 0.0 111.539 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.12 86.01 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.375 1.07 . . . . 0.0 113.244 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.45 -32.26 71.09 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.784 -1.198 . . . . 0.0 112.489 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 38.2 t -67.87 -36.99 81.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.068 0.947 . . . . 0.0 111.264 170.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.37 85.56 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.147 0.979 . . . . 0.0 112.7 171.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -63.78 -41.76 97.89 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.529 1.513 . . . . 0.0 112.331 170.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -63.67 -26.83 68.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.861 0.864 . . . . 0.0 112.761 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 86.8 mt -75.98 -49.22 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.731 0.812 . . . . 0.0 111.013 168.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -27.75 62.59 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.881 1.272 . . . . 0.0 113.504 -178.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -57.67 -22.18 44.4 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.985 1.714 . . . . 0.0 114.949 169.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -115.66 -36.27 4.28 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.545 1.538 . . . . 0.0 112.267 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -141.13 81.15 1.77 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.093 1.757 . . . . 0.0 110.661 -173.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -42.24 33.47 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -169.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -139.61 -7.74 1.28 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.113 1.365 . . . . 0.0 113.052 169.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.04 -13.92 61.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.68 1.192 . . . . 0.0 113.978 -172.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.01 -7.84 53.92 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 172.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -126.84 107.9 10.53 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.893 1.277 . . . . 0.0 112.58 -174.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -52.19 -35.26 48.64 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.928 1.691 . . . . 0.0 113.024 169.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.01 -13.76 49.81 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 125.215 1.388 . . . . 0.0 114.102 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -96.84 -56.9 2.42 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.839 1.32 . . . . 0.0 112.401 168.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -70.31 -16.47 63.01 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -172.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -113.14 -9.07 13.54 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -139.64 -8.28 1.26 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 -170.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 96.5 m -103.44 1.71 32.85 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.637 1.108 . . . . 0.0 113.921 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -86.15 -21.38 27.59 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -170.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.08 -36.43 11.13 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.787 0.708 . . . . 0.0 113.441 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.2 t -171.98 154.16 3.41 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.31 1.844 . . . . 0.0 110.802 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 87.9 mt -117.87 151.28 48.57 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.647 1.579 . . . . 0.0 111.603 175.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -70.2 151.37 66.54 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.742 2.961 . . . . 0.0 110.714 174.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -79.11 148.9 32.22 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 122.236 1.017 . . . . 0.0 111.822 171.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.3 pt -129.1 -0.24 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.999 2.12 . . . . 0.0 112.735 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.4 m -63.58 -17.65 63.07 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -174.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.5 m -83.98 -6.93 59.51 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.153 1.381 . . . . 0.0 113.836 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--O 1.254 1.312 0 C-N-CA 125.673 1.589 . . . . 0.0 112.164 -174.711 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.332 0 N-CA-C 112.174 -0.37 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -160.09 168.65 25.05 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.657 1.983 . . . . 0.0 112.607 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 m -115.73 132.79 56.53 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.771 1.229 . . . . 0.0 110.51 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.37 162.28 13.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.489 1.516 . . . . 0.0 111.688 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.3 t -104.47 160.51 14.86 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.593 1.557 . . . . 0.0 107.99 166.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -57.39 -44.12 84.22 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.364 0.984 . . . . 0.0 111.997 -174.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m -63.41 -25.44 68.28 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 176.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.77 -48.34 6.69 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.459 1.028 . . . . 0.0 111.201 171.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.14 -46.26 88.04 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.402 1.081 . . . . 0.0 112.436 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.09 -45.0 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 119.378 0.99 . . . . 0.0 110.514 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -70.39 -42.33 71.85 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.21 1.004 . . . . 0.0 113.057 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.07 -42.14 98.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.498 1.119 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -73.66 -39.47 64.44 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.914 0.886 . . . . 0.0 112.137 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -56.19 -41.43 75.55 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.983 0.513 . . . . 0.0 111.738 172.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -69.84 -31.83 69.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.857 1.263 . . . . 0.0 112.662 174.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -87.96 -0.53 57.13 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.941 1.459 . . . . 0.0 114.941 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.77 35.53 5.84 Favored Glycine 0 N--CA 1.472 1.044 0 C-N-CA 124.501 1.048 . . . . 0.0 114.272 172.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -91.31 149.06 21.91 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.109 0.955 . . . . 0.0 111.316 173.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -72.0 122.35 20.71 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.846 1.658 . . . . 0.0 110.316 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.18 -27.65 69.11 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -175.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -81.2 -14.44 57.54 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 mt -103.6 -5.5 22.6 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.617 1.167 . . . . 0.0 113.179 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.3 tpp -52.05 -44.01 64.05 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.598 1.159 . . . . 0.0 112.541 -174.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -54.83 -48.62 72.6 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.634 1.174 . . . . 0.0 112.332 173.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -61.42 -46.53 89.75 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.077 1.351 . . . . 0.0 110.698 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -65.62 -50.0 66.63 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.65 1.18 . . . . 0.0 112.714 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.8 m -64.93 -34.98 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.021 0.828 . . . . 0.0 111.501 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -71.52 -41.97 68.55 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.769 0.713 . . . . 0.0 112.104 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.53 -53.8 49.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.793 1.237 . . . . 0.0 110.303 170.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.96 -40.75 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.448 0.699 . . . . 0.0 112.037 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.03 -22.37 66.98 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -101.62 -14.09 17.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -89.45 -55.84 3.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.273 1.029 . . . . 0.0 111.562 172.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.5 p -114.49 -15.79 12.0 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m 68.92 26.52 5.78 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.871 1.269 . . . . 0.0 111.345 -166.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 71.08 32.01 2.37 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.155 2.182 . . . . 0.0 113.006 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -113.53 115.13 27.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.776 1.231 . . . . 0.0 111.478 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.5 p -70.04 -25.58 63.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 119.261 -0.4 . . . . 0.0 111.908 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -78.3 -2.4 37.85 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -68.84 142.31 54.88 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.225 -0.922 . . . . 0.0 113.094 -172.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.6 p -153.42 145.2 23.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.505 2.322 . . . . 0.0 111.379 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -156.14 127.11 6.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.781 1.632 . . . . 0.0 110.542 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.6 m -81.66 137.18 35.47 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.3 1.04 . . . . 0.0 110.495 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -99.48 160.68 14.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.717 1.607 . . . . 0.0 112.217 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.42 -23.91 67.61 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.44 1.096 . . . . 0.0 113.363 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -80.11 -4.46 52.97 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.402 1.481 . . . . 0.0 114.135 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.56 -3.47 85.13 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.227 1.394 . . . . 0.0 114.369 -177.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 p -79.68 178.91 7.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.551 1.54 . . . . 0.0 111.791 169.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -142.21 160.86 39.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.958 1.303 . . . . 0.0 110.644 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.21 148.3 23.69 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.282 1.033 . . . . 0.0 110.691 169.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -142.63 133.82 26.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.256 1.422 . . . . 0.0 111.488 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.55 -173.14 51.12 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 116.016 1.166 . . . . 0.0 116.016 169.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.35 -19.91 63.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -168.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -115.28 17.17 16.71 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.083 1.753 . . . . 0.0 111.194 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 55.61 46.37 22.93 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.072 1.749 . . . . 0.0 111.589 171.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.0 mt -77.26 133.33 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.456 1.102 . . . . 0.0 109.627 -169.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -101.13 140.29 35.64 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.594 0.712 . . . . 0.0 112.643 -173.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.81 -9.03 25.01 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.173 1.389 . . . . 0.0 114.322 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -86.41 -18.34 32.01 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.335 1.454 . . . . 0.0 113.145 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -131.6 -35.17 1.31 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -167.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -139.67 -40.17 0.45 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -167.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.8 p -102.15 169.15 8.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.08 0.952 . . . . 0.0 113.565 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.4 t -113.71 129.44 56.57 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.634 1.574 . . . . 0.0 111.082 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -89.14 -9.53 50.64 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.94 -159.04 21.31 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.663 1.125 . . . . 0.0 112.958 -173.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.89 2.02 24.92 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 t -159.95 143.9 10.64 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.46 1.104 . . . . 0.0 111.903 -171.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.68 150.95 79.61 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.415 2.743 . . . . 0.0 111.102 172.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 161.63 93.03 0.09 OUTLIER Glycine 0 N--CA 1.468 0.828 0 O-C-N 122.085 -0.385 . . . . 0.0 112.897 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -167.26 -175.16 2.83 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 129.055 2.942 . . . . 0.0 109.502 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -56.24 -23.56 36.77 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.554 1.142 . . . . 0.0 114.035 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 64.3 m -109.9 -1.85 17.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.221 1.409 . . . . 0.0 114.626 176.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 49.98 54.98 10.13 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.873 1.669 . . . . 0.0 113.538 173.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.1 144.03 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.571 1.148 . . . . 0.0 111.334 -172.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -97.1 135.26 39.33 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.135 1.374 . . . . 0.0 110.965 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.2 m -47.99 -37.71 15.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.772 1.629 . . . . 0.0 114.178 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -69.17 -33.57 73.6 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.62 -11.2 60.73 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.787 -1.195 . . . . 0.0 112.667 174.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.7 mt -81.36 -14.66 56.99 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.509 -0.745 . . . . 0.0 112.643 173.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.4 mt -97.57 8.91 43.77 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.249 1.42 . . . . 0.0 113.395 -176.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -85.11 -177.57 6.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.862 1.665 . . . . 0.0 112.31 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -85.73 -6.5 59.11 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -172.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -116.37 124.75 50.85 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.305 1.442 . . . . 0.0 109.655 169.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.5 pt -68.54 -14.97 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.632 1.173 . . . . 0.0 113.443 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.1 t -53.91 -33.26 56.12 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -169.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.45 -33.41 75.87 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.391 0.541 . . . . 0.0 111.605 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.65 -38.8 17.98 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.937 1.295 . . . . 0.0 111.525 173.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.22 75.77 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.041 0.936 . . . . 0.0 113.423 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -71.59 -30.13 65.47 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.716 -1.24 . . . . 0.0 112.427 173.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.2 t -67.31 -37.82 83.96 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.309 0.644 . . . . 0.0 110.956 169.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.28 93.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.163 0.985 . . . . 0.0 112.684 172.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -61.33 -40.97 96.2 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.195 1.361 . . . . 0.0 112.188 170.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -67.95 -21.9 65.06 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.301 1.04 . . . . 0.0 113.371 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 90.7 mt -79.86 -44.64 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.186 0.994 . . . . 0.0 110.326 168.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -25.89 56.26 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.313 1.445 . . . . 0.0 113.851 177.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -55.7 -26.64 46.06 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.487 1.515 . . . . 0.0 114.355 169.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.3 mtt85 -114.04 -37.97 4.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.503 1.521 . . . . 0.0 112.642 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -143.66 94.42 2.6 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.605 1.562 . . . . 0.0 110.758 -176.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -54.47 -39.7 67.73 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -171.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -142.93 -16.48 0.69 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.068 1.347 . . . . 0.0 113.561 176.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.38 -11.29 60.21 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -171.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.81 -7.3 47.46 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.212 1.005 . . . . 0.0 113.603 171.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.3 m-90 -125.3 127.75 47.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.419 1.488 . . . . 0.0 111.85 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -78.44 -32.82 48.74 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -170.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.6 -29.2 74.52 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.216 0.912 . . . . 0.0 112.593 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -64.25 -55.9 18.34 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.037 0.919 . . . . 0.0 112.072 172.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -69.74 -19.17 63.54 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -93.75 -28.07 16.14 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -130.55 -14.57 3.66 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -174.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.9 m -114.1 1.6 14.66 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 -169.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -33.05 59.33 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -171.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.17 -24.98 8.58 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.48 1.038 . . . . 0.0 114.777 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -153.31 138.54 17.45 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.241 1.416 . . . . 0.0 111.374 -171.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.9 mt -127.11 152.62 76.1 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 125.595 1.558 . . . . 0.0 112.03 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.43 156.1 62.32 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 124.307 3.338 . . . . 0.0 112.106 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -77.77 142.89 38.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.091 0.956 . . . . 0.0 111.63 170.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.78 -0.82 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.678 1.991 . . . . 0.0 112.876 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.6 p -66.54 -13.51 61.07 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.2 m -82.18 -8.09 59.64 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.919 1.288 . . . . 0.0 113.837 170.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.672 1.589 . . . . 0.0 112.102 -176.28 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.084 0 N-CA-C 111.983 -0.447 . . . . 0.0 111.983 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -156.67 162.98 39.81 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.88 1.672 . . . . 0.0 112.573 -171.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 m -108.5 132.91 53.34 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.707 1.203 . . . . 0.0 110.614 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -98.83 155.66 17.26 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.935 1.694 . . . . 0.0 110.778 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.4 t -93.88 161.34 14.35 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.764 1.226 . . . . 0.0 108.544 168.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -56.62 -46.61 80.83 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.363 0.983 . . . . 0.0 111.866 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.3 m -60.29 -37.91 81.96 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.582 -0.699 . . . . 0.0 112.815 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.66 -45.6 65.51 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.168 0.89 . . . . 0.0 111.63 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.35 -49.33 75.98 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.074 1.349 . . . . 0.0 111.919 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.6 t -50.37 -45.63 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.757 0.823 . . . . 0.0 110.449 174.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -69.2 -41.44 77.11 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.28 -41.89 99.05 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.61 1.164 . . . . 0.0 111.007 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.3 mt -72.5 -38.54 68.09 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.147 0.979 . . . . 0.0 112.154 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -58.23 -39.94 80.42 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.925 -0.484 . . . . 0.0 112.006 172.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -68.69 -36.46 78.53 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.655 0.782 . . . . 0.0 112.43 172.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -84.66 -4.23 58.91 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -174.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.89 36.26 3.75 Favored Glycine 0 N--CA 1.474 1.179 0 C-N-CA 124.597 1.094 . . . . 0.0 114.681 170.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -102.29 138.09 39.68 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.24 1.416 . . . . 0.0 109.205 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -75.8 140.06 42.12 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.917 0.487 . . . . 0.0 111.895 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -63.23 -23.55 67.48 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -84.25 -17.15 40.68 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 mt -98.25 -13.93 20.55 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.43 1.092 . . . . 0.0 112.748 172.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.7 tpp -51.59 -44.0 62.65 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.432 1.493 . . . . 0.0 112.997 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -54.8 -50.12 69.32 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.127 0.971 . . . . 0.0 112.326 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.92 -43.34 99.05 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.643 1.177 . . . . 0.0 110.916 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -66.62 -51.08 60.31 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.139 0.976 . . . . 0.0 112.87 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -65.78 -33.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.452 1.024 . . . . 0.0 111.796 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 t -71.01 -42.4 69.62 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.54 0.609 . . . . 0.0 111.733 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tt -55.64 -52.66 63.05 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.465 1.106 . . . . 0.0 110.279 170.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -60.09 -42.16 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.823 0.849 . . . . 0.0 111.851 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.66 -39.54 94.23 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 176.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -82.92 -13.17 56.57 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -94.58 -60.26 1.75 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.529 1.131 . . . . 0.0 112.047 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -112.41 -9.51 13.83 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -172.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m 66.87 22.34 10.22 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.406 1.482 . . . . 0.0 113.056 -169.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 72.65 27.66 2.26 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.826 1.65 . . . . 0.0 112.205 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -119.1 118.63 31.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.131 1.373 . . . . 0.0 111.203 -176.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -68.63 -26.13 65.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 119.14 -0.457 . . . . 0.0 111.885 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -77.7 -5.68 51.35 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -71.7 143.77 49.55 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.994 -1.066 . . . . 0.0 112.431 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 74.5 p -144.44 160.55 40.89 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.844 1.658 . . . . 0.0 111.819 174.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -149.49 131.85 15.61 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.246 1.418 . . . . 0.0 111.083 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.2 m -89.57 148.5 23.33 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.914 1.286 . . . . 0.0 110.382 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -115.47 158.36 22.66 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.628 1.571 . . . . 0.0 111.695 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.91 -24.6 67.92 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.582 1.153 . . . . 0.0 113.7 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -73.85 -13.9 60.99 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.112 1.365 . . . . 0.0 113.859 174.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.63 -1.36 68.78 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.384 1.469 . . . . 0.0 114.065 -175.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.6 p -78.27 161.37 27.31 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.3 1.05 . . . . 0.0 111.479 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -131.75 153.2 50.32 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.542 1.137 . . . . 0.0 110.727 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -102.21 143.99 31.31 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.367 1.867 . . . . 0.0 109.799 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -141.78 145.76 35.13 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.553 1.141 . . . . 0.0 113.456 -170.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.62 -175.5 53.24 Favored Glycine 0 N--CA 1.467 0.753 0 CA-C-O 122.054 0.808 . . . . 0.0 114.14 170.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -20.68 66.5 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -168.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -108.22 9.6 28.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.557 1.143 . . . . 0.0 111.677 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 50.72 56.54 7.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.782 1.633 . . . . 0.0 111.555 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.1 mt -81.23 132.37 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 125.608 1.563 . . . . 0.0 109.469 -171.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.09 137.15 35.57 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.501 0.667 . . . . 0.0 112.68 -170.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -66.22 -12.14 54.31 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -81.59 -26.55 34.83 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.529 1.132 . . . . 0.0 112.558 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -123.74 -34.46 3.03 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 -167.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -134.35 -37.3 0.87 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -167.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.4 p -108.94 162.21 14.43 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.13 0.972 . . . . 0.0 112.684 169.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.8 t -105.25 131.72 52.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.308 1.443 . . . . 0.0 111.82 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.21 -8.08 59.64 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 174.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.55 -161.89 20.05 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.83 1.205 . . . . 0.0 113.71 -170.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.98 -3.02 42.91 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.344 1.058 . . . . 0.0 113.743 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.3 p -157.41 154.67 26.07 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 125.836 1.654 . . . . 0.0 111.328 -172.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -69.77 152.76 69.36 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.436 2.757 . . . . 0.0 110.602 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.86 69.22 0.04 OUTLIER Glycine 0 N--CA 1.472 1.086 0 N-CA-C 114.317 0.487 . . . . 0.0 114.317 -171.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -149.64 -178.13 6.26 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.103 2.161 . . . . 0.0 110.425 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.64 -25.86 60.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.815 1.246 . . . . 0.0 113.554 172.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.3 m -103.33 -1.69 28.29 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.2 t30 52.31 54.23 11.07 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.882 1.673 . . . . 0.0 113.112 172.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.1 p -149.86 146.0 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.708 1.203 . . . . 0.0 111.161 -172.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -99.07 137.79 37.1 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.804 1.642 . . . . 0.0 110.848 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 68.0 m -51.16 -36.93 43.5 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.043 1.337 . . . . 0.0 113.923 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -70.13 -31.43 68.95 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -72.05 -11.4 60.74 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.621 -1.3 . . . . 0.0 112.307 173.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.5 mt -80.98 -15.36 56.44 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.472 -0.767 . . . . 0.0 112.399 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 mt -94.99 7.68 45.29 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.488 1.515 . . . . 0.0 112.99 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.4 t -80.67 -178.37 6.73 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.486 1.514 . . . . 0.0 112.11 -177.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -92.67 11.41 26.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.608 1.563 . . . . 0.0 113.781 -170.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -135.12 126.64 28.72 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.352 1.861 . . . . 0.0 108.147 169.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.3 pt -69.58 -14.14 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.263 1.025 . . . . 0.0 113.03 -174.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.0 t -54.44 -36.13 63.71 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.361 1.464 . . . . 0.0 114.007 -169.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.9 -32.74 73.15 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.263 -0.898 . . . . 0.0 112.235 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.17 -39.29 15.63 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.752 1.221 . . . . 0.0 111.626 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.71 85.07 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.182 0.993 . . . . 0.0 113.239 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.47 -32.94 73.29 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.819 -1.176 . . . . 0.0 112.416 175.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 45.3 t -66.45 -40.04 89.19 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.747 0.819 . . . . 0.0 110.915 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.95 83.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.209 1.004 . . . . 0.0 112.844 172.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -62.97 -42.36 99.81 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.613 1.551 . . . . 0.0 112.591 170.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.58 -24.3 67.05 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.437 -0.79 . . . . 0.0 112.856 176.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 91.9 mt -76.74 -48.63 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.484 -0.76 . . . . 0.0 110.548 168.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.05 -28.73 58.68 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.931 1.292 . . . . 0.0 113.755 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -56.44 -25.36 50.29 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.614 1.566 . . . . 0.0 114.945 170.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.4 mtt85 -115.4 -32.98 5.43 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.786 1.634 . . . . 0.0 112.79 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -145.08 82.47 1.66 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.829 2.052 . . . . 0.0 110.119 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.24 -43.49 3.44 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 126.157 1.783 . . . . 0.0 114.171 -171.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -145.69 -3.57 0.7 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.547 1.939 . . . . 0.0 112.773 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.51 -15.75 59.8 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.329 1.852 . . . . 0.0 113.88 -167.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.99 -5.7 52.12 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.977 1.311 . . . . 0.0 113.808 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.5 m-90 -118.63 146.12 44.9 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.501 1.52 . . . . 0.0 112.419 -174.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -90.4 -39.88 12.39 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.98 0.912 . . . . 0.0 113.36 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.4 -29.14 73.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 123.687 0.66 . . . . 0.0 112.37 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -66.56 -44.66 81.71 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -82.22 -17.86 44.61 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.19 -24.58 17.45 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -131.72 -45.54 0.97 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.5 m -70.46 -7.24 41.88 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -172.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -74.79 -24.89 58.72 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.068 0.947 . . . . 0.0 112.523 173.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.14 -46.96 3.99 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.132 0.873 . . . . 0.0 113.02 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.5 m -153.18 142.63 21.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.868 1.267 . . . . 0.0 111.672 -173.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.6 mt -118.95 149.73 47.28 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.641 1.576 . . . . 0.0 110.945 171.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.67 161.18 40.01 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.729 2.953 . . . . 0.0 111.276 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -78.83 149.73 32.46 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.869 0.867 . . . . 0.0 112.123 172.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 44.6 pt -131.36 -4.0 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 126.551 1.94 . . . . 0.0 113.279 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.2 m -70.16 -9.5 55.84 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.702 -1.249 . . . . 0.0 113.903 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.1 p -85.46 -10.3 56.32 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.823 1.649 . . . . 0.0 113.918 169.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.0 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.905 1.682 . . . . 0.0 112.282 -174.755 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.338 0 N-CA-C 112.126 -0.389 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -157.81 166.82 31.71 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.228 1.811 . . . . 0.0 112.706 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.4 m -110.43 137.12 48.56 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.096 1.358 . . . . 0.0 110.502 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -102.98 159.82 15.17 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.768 1.627 . . . . 0.0 111.396 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.5 t -101.26 163.82 12.09 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.374 1.47 . . . . 0.0 108.304 166.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -58.1 -48.03 81.42 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.938 0.79 . . . . 0.0 112.008 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.65 -38.13 83.81 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.629 -0.669 . . . . 0.0 112.797 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.58 -47.2 86.36 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 123.913 0.768 . . . . 0.0 111.557 174.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.9 tp -64.29 -47.13 80.67 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.917 -1.039 . . . . 0.0 112.149 176.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.2 t -49.39 -46.17 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 119.419 1.008 . . . . 0.0 110.421 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -69.77 -42.5 73.75 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.974 0.91 . . . . 0.0 113.153 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.11 -37.84 88.77 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.417 1.087 . . . . 0.0 111.869 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.2 mt -74.02 -38.15 64.14 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.573 0.749 . . . . 0.0 112.026 174.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.84 -39.31 80.87 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 121.912 -0.493 . . . . 0.0 111.836 171.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -66.17 -31.19 71.88 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.637 1.175 . . . . 0.0 112.783 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -97.09 5.46 50.25 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.431 1.492 . . . . 0.0 114.621 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.81 37.48 6.4 Favored Glycine 0 N--CA 1.472 1.097 0 C-N-CA 124.32 0.962 . . . . 0.0 114.481 171.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -101.34 137.78 39.22 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.908 1.283 . . . . 0.0 109.503 172.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -77.23 140.49 40.11 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.551 0.74 . . . . 0.0 111.596 -173.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -64.75 -24.3 67.52 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -82.24 -15.99 51.15 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.959 0.904 . . . . 0.0 113.38 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.8 mt -98.22 -19.32 17.92 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.813 1.245 . . . . 0.0 112.283 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.1 tpp -49.43 -45.32 46.25 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.108 1.763 . . . . 0.0 113.484 -174.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -56.73 -43.97 81.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.231 1.012 . . . . 0.0 113.045 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -65.53 -47.17 76.82 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.173 0.589 . . . . 0.0 110.943 173.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -62.05 -49.02 77.64 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.518 0.727 . . . . 0.0 112.843 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 m -66.51 -36.59 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.299 0.954 . . . . 0.0 111.709 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -68.58 -38.96 81.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.727 0.694 . . . . 0.0 111.878 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.78 -52.71 63.11 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.39 1.476 . . . . 0.0 110.598 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.01 -38.69 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.574 -0.704 . . . . 0.0 112.082 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -68.79 -31.13 69.91 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.569 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -34.79 60.54 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.826 1.194 . . . . 0.0 111.651 173.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -76.98 -69.06 0.55 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.247 1.019 . . . . 0.0 111.296 -173.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.7 p -107.89 -10.91 15.45 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -175.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.4 m 68.34 28.59 6.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.689 1.595 . . . . 0.0 111.802 -168.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 67.96 34.34 4.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.375 1.87 . . . . 0.0 112.65 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -117.93 113.97 22.5 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.805 0.842 . . . . 0.0 111.804 -177.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 p -69.02 -26.57 65.06 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 122.318 -0.238 . . . . 0.0 111.441 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.0 m -73.81 -6.33 46.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.357 1.063 . . . . 0.0 113.681 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -76.08 143.34 41.39 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.218 -0.926 . . . . 0.0 112.889 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.2 p -148.75 161.49 41.67 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.177 2.191 . . . . 0.0 110.494 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -158.61 131.45 7.14 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.238 1.015 . . . . 0.0 111.755 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m -82.51 135.79 35.03 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.34 1.056 . . . . 0.0 110.178 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.408 HD22 ' ND2' ' A' ' 57' ' ' ASN . 78.4 m-20 -91.75 158.53 16.31 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.018 1.327 . . . . 0.0 111.907 178.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -63.8 -22.22 66.8 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.29 1.036 . . . . 0.0 113.429 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -93.41 8.03 42.14 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.672 1.589 . . . . 0.0 113.892 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.04 -7.23 82.01 Favored Glycine 0 N--CA 1.477 1.411 0 C-N-CA 125.311 1.434 . . . . 0.0 115.608 172.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.0 p -77.53 173.24 12.22 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.842 1.257 . . . . 0.0 111.622 169.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -130.85 164.99 23.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.686 1.194 . . . . 0.0 110.803 174.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.28 150.78 26.85 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.815 1.646 . . . . 0.0 110.315 169.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -145.77 143.02 29.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.353 1.461 . . . . 0.0 113.235 -172.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.32 -178.96 51.06 Favored Glycine 0 N--CA 1.468 0.784 0 O-C-N 121.537 -0.727 . . . . 0.0 114.812 169.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.96 -28.34 68.91 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 115.724 1.75 . . . . 0.0 115.724 -168.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -101.87 8.24 41.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.388 1.075 . . . . 0.0 111.992 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 56.94 54.28 7.22 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.012 1.725 . . . . 0.0 110.659 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.9 mt -84.5 137.2 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.276 1.83 . . . . 0.0 110.684 -169.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.408 ' ND2' HD22 ' A' ' 44' ' ' ASN . 34.5 m120 -98.02 141.28 31.17 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -172.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -67.81 -9.93 48.49 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -102.7 -3.1 27.03 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.057 1.743 . . . . 0.0 112.796 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -132.55 -39.31 1.01 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 -169.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -144.29 -40.59 0.27 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -168.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 p -104.5 167.73 9.55 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.936 0.895 . . . . 0.0 112.47 169.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.64 139.84 51.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.935 1.294 . . . . 0.0 112.253 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -100.88 -8.4 22.58 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -170.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.08 -154.55 9.68 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.409 1.004 . . . . 0.0 112.944 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.43 -1.27 26.24 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.6 p -158.79 155.87 25.7 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.178 1.391 . . . . 0.0 112.299 -171.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -71.41 159.35 51.81 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.494 2.796 . . . . 0.0 110.669 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.69 71.16 0.03 OUTLIER Glycine 0 N--CA 1.472 1.082 0 O-C-N 121.905 -0.497 . . . . 0.0 114.093 -175.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -151.82 -178.3 6.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.247 2.219 . . . . 0.0 110.649 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.2 -24.63 67.33 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.081 0.952 . . . . 0.0 113.101 175.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.84 -4.11 31.14 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.895 1.278 . . . . 0.0 114.061 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 51.32 53.0 13.66 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.09 1.756 . . . . 0.0 113.349 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.1 p -150.36 142.56 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.546 1.138 . . . . 0.0 111.326 -171.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -92.85 135.58 34.01 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.327 1.451 . . . . 0.0 111.263 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.4 m -48.1 -37.77 16.07 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.222 1.809 . . . . 0.0 114.213 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -72.25 -30.41 64.85 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.75 -20.88 64.39 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.745 -1.222 . . . . 0.0 112.281 174.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.45 -14.85 61.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.626 0.77 . . . . 0.0 112.604 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.2 mt -95.0 7.39 46.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.56 1.544 . . . . 0.0 113.1 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.4 p -78.05 176.73 8.91 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.155 1.382 . . . . 0.0 112.271 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.94 -4.04 57.75 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.605 1.562 . . . . 0.0 114.861 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -116.91 123.93 48.21 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.283 1.433 . . . . 0.0 109.253 169.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.5 pt -66.59 -14.68 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.276 1.03 . . . . 0.0 113.223 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.7 t -53.33 -35.49 60.27 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.434 1.494 . . . . 0.0 114.316 -169.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -61.87 -35.62 78.85 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.577 -0.702 . . . . 0.0 111.865 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.05 -38.35 17.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.131 1.372 . . . . 0.0 111.804 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.36 -42.03 79.77 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.436 1.094 . . . . 0.0 113.042 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -67.76 -32.71 73.49 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.746 -1.221 . . . . 0.0 112.212 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.99 -38.24 82.44 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.744 0.818 . . . . 0.0 111.101 170.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.77 88.37 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.145 0.978 . . . . 0.0 112.739 171.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -61.77 -42.41 98.95 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.343 1.429 . . . . 0.0 112.164 169.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.05 -22.51 64.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.737 0.815 . . . . 0.0 113.08 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 85.3 mt -78.13 -45.17 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.494 -0.753 . . . . 0.0 110.22 168.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -30.25 63.14 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.777 1.231 . . . . 0.0 113.464 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -58.1 -28.58 64.75 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.703 1.601 . . . . 0.0 114.171 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -98.04 -44.07 6.79 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.727 1.611 . . . . 0.0 110.891 176.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -151.16 98.68 2.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.29 2.236 . . . . 0.0 110.485 -174.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -51.86 -40.91 61.36 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -170.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -143.84 -13.4 0.65 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.062 1.345 . . . . 0.0 113.636 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.57 -13.95 62.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.84 1.256 . . . . 0.0 114.038 -172.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.23 -7.54 47.54 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.57 1.148 . . . . 0.0 113.989 174.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 -125.24 124.7 42.25 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.377 1.471 . . . . 0.0 111.164 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -71.77 -38.89 70.28 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -167.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.57 -22.1 74.92 Favored Glycine 0 N--CA 1.474 1.191 0 C-N-CA 123.886 0.755 . . . . 0.0 113.616 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -66.64 -43.55 84.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.603 1.202 . . . . 0.0 111.129 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -86.33 -15.36 40.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -98.8 -31.09 12.05 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -127.2 -42.46 1.7 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -171.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.6 m -72.38 -7.77 51.46 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -73.62 -22.89 59.87 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.992 0.917 . . . . 0.0 112.854 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.64 -33.13 31.68 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 118.769 0.713 . . . . 0.0 113.576 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 m -172.41 143.16 1.37 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 127.288 2.235 . . . . 0.0 110.378 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -110.94 149.42 40.4 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.05 1.34 . . . . 0.0 110.847 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -70.12 148.33 62.49 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.418 2.745 . . . . 0.0 110.632 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -77.3 146.91 36.53 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 122.274 1.035 . . . . 0.0 111.424 171.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.4 pt -130.39 0.81 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.826 2.05 . . . . 0.0 112.641 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.3 m -61.8 -17.89 57.88 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -173.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.1 m -85.78 -6.97 59.03 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.116 1.367 . . . . 0.0 113.837 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.724 1.61 . . . . 0.0 111.96 -176.216 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -155.4 166.48 33.42 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.755 1.622 . . . . 0.0 112.564 -173.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.7 m -109.14 134.64 51.45 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.698 1.199 . . . . 0.0 110.731 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -101.75 156.5 17.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.47 1.908 . . . . 0.0 110.527 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -95.85 161.13 14.14 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.819 1.248 . . . . 0.0 108.577 168.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.19 -45.94 79.6 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.449 1.022 . . . . 0.0 111.876 -175.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.17 -38.13 82.27 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.05 -44.55 60.54 Favored Glycine 0 N--CA 1.468 0.796 0 C-N-CA 124.058 0.837 . . . . 0.0 111.576 176.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.54 -49.81 73.84 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.15 1.38 . . . . 0.0 111.955 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.2 t -50.04 -45.15 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.859 0.863 . . . . 0.0 110.491 174.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -69.42 -43.38 73.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.223 1.009 . . . . 0.0 113.709 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.84 -38.44 90.79 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.824 1.25 . . . . 0.0 111.365 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.2 mt -74.21 -42.15 60.23 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.987 0.915 . . . . 0.0 111.993 175.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -55.68 -42.84 75.71 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.582 0.628 . . . . 0.0 111.67 172.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -63.55 -39.35 94.17 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.43 1.892 . . . . 0.0 112.258 172.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -84.94 8.9 16.0 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.322 1.449 . . . . 0.0 114.365 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.34 25.79 27.47 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.902 1.239 . . . . 0.0 115.226 169.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -87.88 139.64 30.31 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.676 1.238 . . . . 0.0 109.89 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -75.64 136.62 40.44 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.763 0.825 . . . . 0.0 111.859 -175.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.38 -27.72 67.65 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -78.94 -19.61 51.32 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.8 mt -96.9 -19.0 19.14 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.796 1.238 . . . . 0.0 112.33 175.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.6 tpp -47.95 -45.46 31.16 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.345 1.858 . . . . 0.0 113.203 -175.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -56.74 -46.95 81.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.3 1.04 . . . . 0.0 113.118 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -63.92 -44.24 93.51 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.399 0.545 . . . . 0.0 111.192 174.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -64.17 -49.18 73.07 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.574 0.749 . . . . 0.0 112.969 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 m -66.69 -33.51 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 119.224 0.92 . . . . 0.0 111.834 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.4 t -71.35 -43.21 67.39 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.408 0.549 . . . . 0.0 111.893 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -53.46 -53.92 44.41 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.494 1.517 . . . . 0.0 110.345 169.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.95 -42.37 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.762 0.825 . . . . 0.0 111.89 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -63.71 -35.12 79.52 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -85.15 -18.35 34.43 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -88.19 -61.2 1.77 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.028 0.931 . . . . 0.0 111.877 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.3 p -113.5 -8.62 13.35 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m 61.2 30.83 19.48 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.409 1.084 . . . . 0.0 112.69 -169.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 mtm-85 73.25 28.5 1.82 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.079 1.752 . . . . 0.0 112.558 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -119.92 117.5 28.26 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.492 1.517 . . . . 0.0 111.427 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.8 p -69.36 -24.76 63.93 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 119.019 -0.515 . . . . 0.0 112.287 -178.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -78.82 -4.48 49.68 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -73.1 143.08 47.5 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.995 -1.065 . . . . 0.0 112.938 -172.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.6 p -142.57 151.62 41.74 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.095 1.758 . . . . 0.0 111.826 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -145.73 131.84 19.36 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.715 1.606 . . . . 0.0 110.487 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.2 m -104.56 144.34 31.83 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.227 1.411 . . . . 0.0 110.518 -173.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -113.6 161.42 17.45 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.698 1.599 . . . . 0.0 112.403 -172.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -61.4 -25.67 67.34 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.901 1.28 . . . . 0.0 113.939 -176.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -81.01 -5.73 57.94 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.17 0.43 80.48 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.923 1.249 . . . . 0.0 114.293 -175.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.2 p -79.21 158.57 27.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.691 1.197 . . . . 0.0 111.724 170.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -136.68 148.49 47.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.685 1.194 . . . . 0.0 110.927 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -101.95 140.58 36.04 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.464 1.905 . . . . 0.0 110.207 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -138.71 150.84 46.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.975 1.31 . . . . 0.0 112.918 -169.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.12 -178.39 49.24 Favored Glycine 0 N--CA 1.468 0.823 0 O-C-N 121.449 -0.782 . . . . 0.0 113.944 171.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -24.61 67.87 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -169.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -102.06 5.35 40.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.313 1.045 . . . . 0.0 111.95 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 50.36 63.82 2.05 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.037 1.735 . . . . 0.0 111.261 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.5 mt -86.57 131.99 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.595 1.558 . . . . 0.0 109.774 -173.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -90.82 138.7 31.38 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -67.75 -13.0 61.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -86.57 -26.05 24.69 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.876 0.871 . . . . 0.0 112.635 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -115.97 -35.01 4.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.744 2.128 . . . . 0.0 116.744 -167.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -140.69 -34.04 0.53 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -167.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.3 p -111.1 163.51 13.8 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.448 1.022 . . . . 0.0 112.683 168.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.2 t -106.82 133.93 50.74 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.751 1.621 . . . . 0.0 111.886 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.96 -8.45 59.16 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 175.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.98 -160.52 18.31 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.905 1.241 . . . . 0.0 114.372 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.19 -9.15 59.49 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.261 1.024 . . . . 0.0 113.665 176.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.2 m -146.19 152.64 47.36 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.886 1.674 . . . . 0.0 111.154 -176.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -66.8 154.69 73.65 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.366 2.711 . . . . 0.0 110.487 169.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.46 69.51 0.04 OUTLIER Glycine 0 N--CA 1.473 1.11 0 N-CA-C 114.723 0.649 . . . . 0.0 114.723 -171.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -150.3 -177.46 5.96 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.058 2.143 . . . . 0.0 110.517 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -58.32 -26.06 62.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.605 1.162 . . . . 0.0 113.183 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 52.9 m -102.04 -3.26 27.94 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.081 1.352 . . . . 0.0 114.477 176.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.5 t30 51.73 54.91 10.14 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.799 1.64 . . . . 0.0 113.334 173.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.3 p -150.55 148.03 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.018 1.327 . . . . 0.0 110.813 -173.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -102.44 137.99 39.95 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.574 1.549 . . . . 0.0 111.347 -177.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 67.3 m -51.19 -37.51 47.01 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.608 1.563 . . . . 0.0 114.267 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.2 t -71.24 -32.31 68.61 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.57 -15.24 62.27 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.823 -1.173 . . . . 0.0 112.617 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.94 -13.94 60.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.803 0.841 . . . . 0.0 112.687 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.6 mt -93.98 9.87 35.78 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.449 1.5 . . . . 0.0 112.769 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.1 p -75.46 174.83 9.12 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.745 1.618 . . . . 0.0 112.135 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -88.94 8.07 31.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.785 1.234 . . . . 0.0 113.842 -173.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -132.33 125.92 32.07 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.877 1.671 . . . . 0.0 107.854 168.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.9 pt -66.03 -12.54 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 124.934 1.294 . . . . 0.0 113.389 -173.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -53.91 -35.44 61.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.002 1.721 . . . . 0.0 114.728 -169.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -63.47 -34.75 78.46 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.302 0.956 . . . . 0.0 112.221 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.81 -39.41 20.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.551 1.14 . . . . 0.0 111.317 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.5 87.92 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.19 0.996 . . . . 0.0 113.474 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -68.12 -34.12 75.79 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.955 -1.091 . . . . 0.0 112.371 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.2 t -67.38 -39.21 85.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.598 0.759 . . . . 0.0 111.074 170.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.62 76.0 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.12 0.968 . . . . 0.0 112.733 172.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -64.35 -44.02 92.78 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.454 1.479 . . . . 0.0 112.677 170.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -66.39 -24.71 66.52 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.554 -0.716 . . . . 0.0 112.719 176.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 91.2 mt -74.47 -49.1 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.655 -0.653 . . . . 0.0 110.083 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -30.36 63.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.745 1.218 . . . . 0.0 113.671 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -56.5 -26.5 54.63 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.928 1.691 . . . . 0.0 114.387 169.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -110.48 -33.86 6.48 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.394 1.878 . . . . 0.0 112.272 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -152.31 86.95 1.3 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.774 2.43 . . . . 0.0 110.398 -173.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -49.25 -42.42 40.66 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -170.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -140.09 -4.31 1.35 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.271 1.428 . . . . 0.0 112.793 169.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -12.65 60.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.358 1.863 . . . . 0.0 114.102 -168.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.31 -8.06 59.68 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.548 1.139 . . . . 0.0 113.578 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.9 m-90 -119.35 117.84 29.6 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.535 1.134 . . . . 0.0 113.297 -171.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -63.74 -35.1 79.48 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.267 1.827 . . . . 0.0 112.104 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.33 -16.89 67.74 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.424 1.488 . . . . 0.0 112.841 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -94.65 -47.55 6.46 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.268 1.027 . . . . 0.0 112.488 171.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -70.62 -17.31 62.89 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -98.77 -8.04 26.6 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -137.75 -39.92 0.56 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -170.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.5 m -76.88 -1.64 29.43 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -176.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -84.64 -21.53 30.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.32 1.048 . . . . 0.0 112.795 -174.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.23 -52.55 1.72 Allowed Glycine 0 N--CA 1.471 1.023 0 C-N-CA 124.585 1.088 . . . . 0.0 112.637 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.0 m -153.36 150.65 29.08 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.402 1.481 . . . . 0.0 111.471 -173.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.3 mt -118.93 152.68 52.06 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.345 1.458 . . . . 0.0 111.828 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -68.93 148.61 70.79 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.782 2.988 . . . . 0.0 110.701 173.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -78.88 149.55 32.41 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 122.399 1.095 . . . . 0.0 111.855 172.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.4 pt -133.19 1.05 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 127.094 2.158 . . . . 0.0 112.765 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.4 m -63.66 -12.39 33.52 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -173.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.6 p -88.63 -9.95 50.35 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.065 1.746 . . . . 0.0 114.108 172.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.2 m . . . . . 0 C--O 1.251 1.159 0 C-N-CA 126.078 1.751 . . . . 0.0 112.354 -175.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.079 0 CA-C-O 121.333 0.407 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.41 165.93 34.9 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.131 1.773 . . . . 0.0 112.418 -172.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m -114.74 132.51 56.41 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.691 1.197 . . . . 0.0 110.763 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.68 160.41 14.33 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.679 1.592 . . . . 0.0 111.628 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 t -101.05 165.16 11.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.418 1.487 . . . . 0.0 108.458 166.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -58.18 -49.56 76.6 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.204 0.911 . . . . 0.0 112.033 -173.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.52 -38.03 83.07 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.39 -48.17 81.05 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 123.96 0.79 . . . . 0.0 111.476 174.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.45 -47.22 79.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.336 1.054 . . . . 0.0 112.325 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.0 t -49.59 -46.46 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.302 0.955 . . . . 0.0 110.305 174.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -69.68 -41.0 76.05 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.031 0.932 . . . . 0.0 113.103 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.12 -42.68 99.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.245 1.018 . . . . 0.0 111.13 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.2 mt -71.97 -37.68 69.85 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.893 0.877 . . . . 0.0 112.123 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -58.95 -42.64 90.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.3 0.64 . . . . 0.0 111.99 172.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -66.3 -34.87 78.97 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.594 0.758 . . . . 0.0 112.321 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -85.37 -1.4 56.97 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.19 18.71 18.71 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.122 1.344 . . . . 0.0 115.383 169.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -77.76 161.18 27.89 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.754 1.277 . . . . 0.0 112.17 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -82.92 125.07 30.96 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.659 1.583 . . . . 0.0 110.319 -172.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -66.7 -22.79 66.07 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -85.16 -14.21 47.67 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.159 0.983 . . . . 0.0 113.581 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.77 -9.24 19.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.306 1.042 . . . . 0.0 113.208 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.5 tpp -48.73 -43.16 37.17 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.087 1.355 . . . . 0.0 113.155 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -55.33 -51.27 67.28 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.378 1.071 . . . . 0.0 112.692 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -61.93 -42.09 98.7 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.426 0.691 . . . . 0.0 111.625 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -63.75 -50.87 67.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.451 0.7 . . . . 0.0 112.394 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.6 m -66.91 -34.47 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.016 0.825 . . . . 0.0 111.728 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.21 -34.63 71.03 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.854 0.686 . . . . 0.0 112.854 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.67 -55.18 25.44 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.9 1.68 . . . . 0.0 109.849 169.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -62.13 -40.9 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.705 0.802 . . . . 0.0 112.038 -175.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.12 -41.77 99.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.925 0.49 . . . . 0.0 112.226 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.14 -32.64 69.23 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.794 -1.191 . . . . 0.0 113.249 175.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -77.75 -61.94 1.83 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.736 0.815 . . . . 0.0 112.077 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 97.3 p -113.86 -6.24 13.23 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -175.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.8 m 64.38 26.24 13.53 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.889 1.276 . . . . 0.0 112.366 -168.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 66.38 33.11 7.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.926 1.69 . . . . 0.0 112.774 -176.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -114.05 116.24 28.86 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.917 1.287 . . . . 0.0 111.089 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -69.99 -25.98 63.86 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 119.122 -0.466 . . . . 0.0 112.054 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -76.62 -3.04 35.64 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.362 0.983 . . . . 0.0 113.331 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -75.11 144.03 43.07 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.169 0.988 . . . . 0.0 112.884 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.4 p -146.05 159.69 42.92 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.946 2.098 . . . . 0.0 110.862 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -153.66 128.97 9.79 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.637 0.775 . . . . 0.0 111.88 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -88.37 143.1 27.21 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.372 1.469 . . . . 0.0 110.946 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -104.12 159.6 15.54 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.875 1.27 . . . . 0.0 112.019 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -57.35 -31.03 65.33 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.71 1.204 . . . . 0.0 114.111 175.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -68.51 -17.06 64.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.477 1.911 . . . . 0.0 114.455 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.34 -1.25 69.4 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.952 1.263 . . . . 0.0 114.173 -173.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.2 p -77.84 168.04 20.56 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.582 1.553 . . . . 0.0 111.041 169.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -146.21 145.87 30.59 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.292 1.037 . . . . 0.0 111.655 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.71 150.31 20.51 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.605 1.562 . . . . 0.0 111.129 172.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -144.8 147.78 33.28 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.207 1.803 . . . . 0.0 112.957 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.51 -177.86 52.39 Favored Glycine 0 N--CA 1.467 0.762 0 CA-C-O 122.241 0.912 . . . . 0.0 115.114 169.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -27.88 69.6 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -169.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.17 9.54 41.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.03 0.932 . . . . 0.0 111.456 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 54.41 54.74 8.97 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.356 1.462 . . . . 0.0 110.318 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.4 mt -84.47 129.18 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.43 1.492 . . . . 0.0 110.085 -169.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -94.05 137.38 33.32 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -170.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -66.32 -12.55 57.24 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -176.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -85.81 -15.93 40.38 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.8 1.24 . . . . 0.0 113.006 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -132.9 -34.17 1.13 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -166.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -136.67 -41.95 0.61 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -167.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.5 p -106.37 165.49 11.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.876 0.87 . . . . 0.0 112.141 168.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -116.93 137.57 52.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.542 1.137 . . . . 0.0 112.544 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.83 -8.09 56.37 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -173.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.8 -164.8 16.46 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.603 1.097 . . . . 0.0 113.098 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.47 -8.75 58.87 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m -140.68 153.13 67.64 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 126.133 1.773 . . . . 0.0 110.961 -176.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -69.89 162.5 41.91 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.66 2.907 . . . . 0.0 111.313 173.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.16 72.51 0.03 OUTLIER Glycine 0 N--CA 1.473 1.151 0 N-CA-C 114.393 0.517 . . . . 0.0 114.393 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -153.2 -178.03 6.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.361 2.264 . . . . 0.0 110.578 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.38 -23.06 66.6 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.261 1.025 . . . . 0.0 113.12 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.7 m -101.9 -1.96 30.91 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 173.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.4 t30 52.18 53.93 11.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.992 1.717 . . . . 0.0 113.209 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.3 p -149.79 148.95 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.633 1.173 . . . . 0.0 111.447 -172.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -102.37 134.78 45.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.121 1.769 . . . . 0.0 111.37 -175.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.7 m -51.15 -37.41 46.12 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.523 1.529 . . . . 0.0 113.873 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -71.76 -32.57 67.82 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -73.83 -7.77 53.5 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.753 -1.217 . . . . 0.0 112.398 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.7 mt -81.23 -14.22 57.71 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.417 -0.802 . . . . 0.0 112.648 169.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.4 mt -95.06 6.12 49.97 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.122 1.369 . . . . 0.0 113.382 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 t -79.43 -179.52 6.85 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.611 1.564 . . . . 0.0 112.134 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -91.95 11.34 25.42 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.704 1.601 . . . . 0.0 113.726 -170.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -133.81 125.79 29.2 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.287 1.835 . . . . 0.0 108.352 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.6 pt -69.09 -14.89 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.242 1.017 . . . . 0.0 113.173 -175.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.6 t -54.94 -34.25 63.03 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.0 1.32 . . . . 0.0 114.005 -169.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.62 -35.45 79.61 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.274 -0.891 . . . . 0.0 112.161 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.64 -38.74 21.14 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.348 1.059 . . . . 0.0 111.483 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.34 78.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.276 1.031 . . . . 0.0 113.286 -175.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -67.02 -35.14 79.26 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.87 -1.144 . . . . 0.0 112.228 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.9 t -66.68 -38.96 87.86 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.849 0.86 . . . . 0.0 110.984 172.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.23 77.34 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.128 0.971 . . . . 0.0 112.69 173.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -63.44 -43.85 96.22 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.053 1.297 . . . . 0.0 112.202 171.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -68.56 -21.72 64.52 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.41 -0.806 . . . . 0.0 113.066 176.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 90.9 mt -76.24 -46.0 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.131 -0.98 . . . . 0.0 110.202 168.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -30.57 64.06 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.519 1.128 . . . . 0.0 113.382 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -58.75 -28.31 65.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.643 1.577 . . . . 0.0 114.29 169.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -97.22 -43.96 7.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.5 1.52 . . . . 0.0 110.967 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -151.49 99.93 2.67 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.179 2.191 . . . . 0.0 110.386 -175.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -51.11 -41.04 59.77 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -170.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -142.18 -15.67 0.77 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.766 1.226 . . . . 0.0 113.733 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.01 -13.39 61.6 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -171.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.52 -11.2 60.77 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.16 0.984 . . . . 0.0 113.55 170.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 24.6 m-90 -118.67 110.46 17.33 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.581 1.552 . . . . 0.0 111.485 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -54.29 -37.22 64.53 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.263 -1.335 . . . . 0.0 112.588 169.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -70.06 -8.73 62.06 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.64 1.114 . . . . 0.0 114.537 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -84.6 -61.26 1.83 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.136 1.468 . . . . 0.0 109.354 167.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -66.22 -9.76 35.3 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -70.79 -31.38 68.12 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.255 -0.903 . . . . 0.0 112.923 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.96 -18.17 0.12 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 118.208 2.67 . . . . 0.0 118.208 -168.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 98.7 m -71.4 -32.39 68.36 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.268 1.395 . . . . 0.0 113.288 -172.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -74.25 -11.24 60.22 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.297 1.439 . . . . 0.0 113.581 170.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.26 -48.33 4.86 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.705 1.145 . . . . 0.0 111.506 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 t -166.5 148.67 6.63 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.878 1.271 . . . . 0.0 112.08 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.8 mt -114.76 150.37 43.93 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 125.658 1.583 . . . . 0.0 111.833 174.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -72.46 156.75 53.99 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.87 3.046 . . . . 0.0 111.396 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -79.13 139.32 38.07 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.741 0.816 . . . . 0.0 111.332 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 41.6 pt -128.39 -1.3 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.2 1.8 . . . . 0.0 113.044 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.4 p -66.46 -14.49 62.3 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -172.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 55.6 m -83.88 -7.28 59.47 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.961 1.304 . . . . 0.0 113.819 170.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.688 1.595 . . . . 0.0 112.01 -176.177 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -159.27 -179.83 8.33 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.085 2.154 . . . . 0.0 111.741 -172.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.8 m -139.62 142.03 37.07 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.544 1.138 . . . . 0.0 111.148 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -114.59 158.52 21.59 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.809 1.643 . . . . 0.0 112.032 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 t -102.99 163.24 12.32 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.609 1.564 . . . . 0.0 107.875 166.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -57.5 -45.34 85.04 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.285 0.948 . . . . 0.0 111.901 -174.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.9 m -62.36 -28.65 69.91 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.19 -48.47 9.57 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 124.373 0.987 . . . . 0.0 111.279 173.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.25 -47.65 83.45 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.538 1.135 . . . . 0.0 112.232 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -50.76 -44.95 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.155 0.889 . . . . 0.0 110.576 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -69.71 -43.69 71.89 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.168 0.987 . . . . 0.0 113.122 177.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.0 -42.01 93.34 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.718 1.207 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt -73.61 -40.96 63.44 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.152 0.981 . . . . 0.0 112.194 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -55.6 -40.57 72.25 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.953 0.501 . . . . 0.0 111.773 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -72.41 -25.77 61.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.45 1.1 . . . . 0.0 113.38 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -93.04 2.42 56.78 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.298 1.439 . . . . 0.0 114.348 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.12 33.32 7.34 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 124.604 1.097 . . . . 0.0 114.349 172.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -90.83 146.83 23.61 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.263 1.032 . . . . 0.0 111.327 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -72.11 122.72 21.46 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.949 1.7 . . . . 0.0 110.487 -174.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.99 -26.46 68.86 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -174.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -81.76 -17.01 49.19 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.061 0.944 . . . . 0.0 113.519 174.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -97.84 -11.72 22.96 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.355 1.062 . . . . 0.0 113.122 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -48.21 -42.67 30.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.536 1.534 . . . . 0.0 113.201 -174.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -55.33 -51.04 68.03 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.247 1.019 . . . . 0.0 112.675 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -63.17 -41.22 99.2 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.494 0.718 . . . . 0.0 111.448 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -64.44 -50.23 68.35 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.34 0.656 . . . . 0.0 112.588 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 m -67.42 -33.51 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 119.1 0.864 . . . . 0.0 111.821 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -71.71 -35.35 70.17 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.656 0.662 . . . . 0.0 112.702 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tt -61.86 -55.7 27.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.794 1.638 . . . . 0.0 109.673 169.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.69 -42.83 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.896 0.878 . . . . 0.0 111.946 -176.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -62.41 -38.77 90.97 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -77.64 -25.19 49.52 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.696 -1.252 . . . . 0.0 113.568 176.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -81.86 -55.57 4.52 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.564 0.746 . . . . 0.0 112.001 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -119.77 -4.53 10.21 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.864 -1.148 . . . . 0.0 113.871 -172.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 m 60.17 19.07 8.41 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.992 1.317 . . . . 0.0 113.005 -169.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 69.51 32.74 3.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.573 1.949 . . . . 0.0 113.187 -172.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -110.54 118.47 36.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.952 1.301 . . . . 0.0 109.565 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -66.88 -28.66 68.51 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 121.555 -0.715 . . . . 0.0 111.771 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 m -72.2 -8.24 53.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.903 1.281 . . . . 0.0 114.287 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -76.64 140.23 40.89 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.999 -1.063 . . . . 0.0 113.044 -171.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.2 p -136.52 158.21 44.97 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.802 1.641 . . . . 0.0 111.729 172.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -146.74 126.92 13.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.28 1.432 . . . . 0.0 110.709 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -93.67 137.91 32.44 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.729 1.212 . . . . 0.0 110.058 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -98.49 157.77 16.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.528 1.531 . . . . 0.0 111.781 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -63.02 -23.35 67.41 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.366 1.066 . . . . 0.0 113.239 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -85.59 3.25 41.53 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.659 1.584 . . . . 0.0 113.701 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.52 -1.89 84.34 Favored Glycine 0 N--CA 1.475 1.252 0 C-N-CA 125.367 1.461 . . . . 0.0 115.677 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.5 p -87.04 163.38 17.07 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.621 1.211 . . . . 0.0 111.741 171.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -129.05 149.2 50.97 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.51 1.124 . . . . 0.0 111.228 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -101.29 142.17 33.09 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.355 1.862 . . . . 0.0 109.854 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -139.81 146.89 39.99 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.75 1.22 . . . . 0.0 113.555 -169.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.55 -176.79 52.07 Favored Glycine 0 N--CA 1.469 0.894 0 O-C-N 121.613 -0.679 . . . . 0.0 114.276 170.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.15 -23.29 67.26 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -169.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -103.5 6.2 37.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.44 1.096 . . . . 0.0 112.006 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 50.95 59.4 4.64 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.702 1.601 . . . . 0.0 111.642 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.0 mt -85.17 135.53 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.523 1.529 . . . . 0.0 109.481 -173.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -97.11 138.71 34.2 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -169.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.12 -11.1 36.27 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -102.03 -3.94 26.84 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.413 1.485 . . . . 0.0 112.759 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -126.22 -44.68 1.72 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -142.98 -28.56 0.56 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -168.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.3 p -113.79 166.4 11.6 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.29 1.036 . . . . 0.0 112.856 169.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -110.05 131.01 55.44 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.903 1.681 . . . . 0.0 112.225 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -85.45 -10.42 56.16 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.87 -157.86 17.72 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.481 1.038 . . . . 0.0 113.266 -170.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.17 1.06 29.69 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 t -160.74 145.36 10.57 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.784 1.234 . . . . 0.0 111.312 -171.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -66.19 155.83 67.84 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 123.374 2.716 . . . . 0.0 111.063 171.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 167.82 74.92 0.03 OUTLIER Glycine 0 N--CA 1.472 1.065 0 O-C-N 121.896 -0.502 . . . . 0.0 113.701 -172.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -154.57 176.95 11.75 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.16 2.184 . . . . 0.0 110.641 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.93 -21.1 60.68 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.692 1.197 . . . . 0.0 113.497 171.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.6 m -106.49 -2.46 21.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.01 1.324 . . . . 0.0 113.927 174.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.0 t30 52.2 53.72 11.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.047 1.739 . . . . 0.0 113.294 171.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.73 143.76 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.554 1.142 . . . . 0.0 111.604 -171.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -96.31 135.73 37.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.912 1.685 . . . . 0.0 111.097 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.1 m -49.2 -36.85 20.91 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.054 1.742 . . . . 0.0 113.944 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.1 t -69.54 -32.59 71.49 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -71.63 -10.06 59.19 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.625 -1.297 . . . . 0.0 112.719 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.75 -14.29 54.77 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.522 -0.736 . . . . 0.0 112.365 173.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.4 mt -95.55 9.89 38.56 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.614 1.566 . . . . 0.0 113.223 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 t -90.66 -171.16 2.95 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.707 1.603 . . . . 0.0 112.877 -169.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -90.55 4.43 51.22 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.45 1.9 . . . . 0.0 115.206 -172.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -135.2 124.6 24.82 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.896 1.678 . . . . 0.0 109.327 169.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.1 pt -70.04 -14.4 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.973 1.309 . . . . 0.0 113.118 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.8 t -54.46 -33.0 58.81 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.643 1.577 . . . . 0.0 114.073 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.95 -34.44 77.5 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.446 0.698 . . . . 0.0 112.218 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.99 -38.02 16.99 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.786 1.234 . . . . 0.0 111.556 174.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.41 -40.78 77.12 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.899 0.879 . . . . 0.0 113.239 -176.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -70.71 -31.52 68.42 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.564 -1.335 . . . . 0.0 112.458 174.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.5 t -65.55 -39.96 92.32 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.615 0.766 . . . . 0.0 110.782 169.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.7 83.4 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.269 1.028 . . . . 0.0 112.89 173.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -63.64 -41.04 98.28 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.489 1.495 . . . . 0.0 112.468 170.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -68.09 -22.91 64.89 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.595 0.758 . . . . 0.0 112.935 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 93.3 mt -76.74 -49.3 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.826 0.85 . . . . 0.0 109.798 168.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -28.18 62.29 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.045 1.338 . . . . 0.0 114.038 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -58.08 -24.32 58.12 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.031 2.133 . . . . 0.0 114.212 171.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -116.05 -33.92 4.89 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.014 1.726 . . . . 0.0 112.745 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -144.23 81.62 1.68 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.855 2.062 . . . . 0.0 110.16 -174.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -45.57 3.75 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.03 1.732 . . . . 0.0 114.132 -170.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -142.61 -3.47 1.02 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.142 1.777 . . . . 0.0 112.758 171.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.95 -15.9 61.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.202 1.801 . . . . 0.0 113.752 -167.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.96 -8.85 58.68 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.995 1.318 . . . . 0.0 113.455 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 24.0 m-90 -119.81 117.77 29.04 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.913 1.285 . . . . 0.0 113.014 -173.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -58.37 -39.69 80.27 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.136 1.375 . . . . 0.0 112.028 169.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.01 -6.53 45.99 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.902 1.239 . . . . 0.0 114.547 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -92.73 -65.84 0.97 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.582 1.191 . . . . 0.0 109.26 167.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -58.4 -27.56 64.39 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -172.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -69.44 -20.45 63.77 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.99 -21.96 0.21 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 -174.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 86.9 m -68.87 -19.61 64.24 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.05 -17.58 60.46 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 173.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -92.42 -54.59 1.8 Allowed Glycine 0 C--N 1.342 0.891 0 C-N-CA 124.818 1.199 . . . . 0.0 111.895 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -153.0 140.8 20.06 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.427 1.091 . . . . 0.0 112.034 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 98.3 mt -115.21 149.74 43.19 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.269 1.428 . . . . 0.0 111.124 169.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.11 159.92 43.5 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.851 3.034 . . . . 0.0 111.286 176.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -79.32 149.23 31.82 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.903 0.858 . . . . 0.0 112.129 172.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.6 pt -132.1 -3.89 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.628 1.971 . . . . 0.0 113.285 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.6 m -69.94 -9.0 53.48 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.712 -1.242 . . . . 0.0 113.958 -175.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 p -85.01 -10.42 57.01 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.778 1.631 . . . . 0.0 113.806 169.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.1 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.958 1.703 . . . . 0.0 112.271 -175.137 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 N-CA-C 112.372 -0.291 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -159.87 162.8 34.69 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.514 1.926 . . . . 0.0 112.346 -173.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 m -111.06 132.19 54.45 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.533 1.133 . . . . 0.0 110.679 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -97.15 154.94 17.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.168 1.787 . . . . 0.0 110.628 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 t -92.39 161.78 14.52 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.558 1.143 . . . . 0.0 108.734 168.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.82 -47.23 80.77 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.405 1.002 . . . . 0.0 111.906 -174.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.08 -39.16 88.84 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.542 -0.724 . . . . 0.0 112.754 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.34 -44.44 93.46 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 123.849 0.737 . . . . 0.0 111.686 175.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.74 -49.31 73.54 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.076 1.35 . . . . 0.0 111.964 175.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.08 -46.01 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.901 0.88 . . . . 0.0 110.445 173.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -69.55 -43.26 73.3 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.11 0.964 . . . . 0.0 113.431 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.04 -39.3 94.33 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.332 1.053 . . . . 0.0 111.248 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.96 -38.39 64.23 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.701 0.8 . . . . 0.0 112.169 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -58.16 -39.7 79.53 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.845 -0.534 . . . . 0.0 111.929 172.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -66.64 -34.76 78.58 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.958 0.903 . . . . 0.0 112.503 172.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.05 5.65 48.04 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.119 1.368 . . . . 0.0 114.476 -174.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.82 34.69 7.16 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 124.412 1.006 . . . . 0.0 114.572 170.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -98.96 136.73 38.52 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.931 1.293 . . . . 0.0 109.299 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -77.11 139.44 39.97 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.31 0.644 . . . . 0.0 111.987 -172.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.38 -26.65 67.98 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -177.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -82.39 -16.87 47.53 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -97.67 -17.99 19.13 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.72 1.208 . . . . 0.0 112.325 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.2 tpp -49.21 -44.57 43.35 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.997 1.719 . . . . 0.0 113.244 -174.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -56.82 -46.27 81.75 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.247 1.019 . . . . 0.0 113.018 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -63.93 -44.59 92.41 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.212 0.605 . . . . 0.0 111.268 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -64.58 -49.51 70.89 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.437 0.695 . . . . 0.0 112.769 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -66.27 -34.33 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.358 0.981 . . . . 0.0 111.908 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -70.47 -43.64 69.38 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.76 0.709 . . . . 0.0 111.498 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -54.99 -53.01 61.16 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.95 1.3 . . . . 0.0 110.36 170.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.13 -40.4 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.559 0.744 . . . . 0.0 112.059 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.85 -40.36 97.22 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 175.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -83.36 -16.25 46.75 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -91.93 -57.1 2.84 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.31 1.044 . . . . 0.0 111.795 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 m -126.27 4.79 7.03 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -170.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 m 60.96 22.65 12.83 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.462 1.505 . . . . 0.0 114.025 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtm-85 68.1 25.37 7.46 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.71 1.604 . . . . 0.0 113.032 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -118.05 118.48 32.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.175 1.79 . . . . 0.0 111.166 -176.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -68.27 -25.38 65.13 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -75.13 -8.34 56.29 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -74.29 136.76 42.62 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 120.971 -1.08 . . . . 0.0 113.086 -172.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.5 p -139.59 155.19 47.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.865 2.066 . . . . 0.0 111.518 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -149.59 129.08 13.03 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.998 1.319 . . . . 0.0 111.62 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 m -89.2 144.17 26.3 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.977 1.311 . . . . 0.0 110.512 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -108.87 159.24 16.95 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.797 1.639 . . . . 0.0 111.931 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -62.27 -23.55 66.77 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.485 1.114 . . . . 0.0 113.371 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -77.75 -6.87 55.49 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.493 1.517 . . . . 0.0 113.998 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.3 -2.88 83.8 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.412 1.482 . . . . 0.0 114.546 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.3 p -83.75 162.84 20.53 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.939 1.296 . . . . 0.0 111.627 170.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -128.4 152.02 48.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.778 1.231 . . . . 0.0 110.933 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -100.65 143.16 31.14 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.76 2.024 . . . . 0.0 109.715 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -141.84 147.94 38.02 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.681 1.192 . . . . 0.0 112.992 -170.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.12 -176.9 49.14 Favored Glycine 0 CA--C 1.526 0.721 0 O-C-N 121.766 -0.584 . . . . 0.0 113.783 172.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -13.12 61.02 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 117.006 2.225 . . . . 0.0 117.006 -168.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -115.23 15.87 16.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.808 1.243 . . . . 0.0 111.551 176.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 44.5 57.13 4.6 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.132 1.773 . . . . 0.0 111.942 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.6 mt -83.1 130.95 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.415 1.086 . . . . 0.0 109.94 -171.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -93.29 138.3 31.79 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -170.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.39 -11.7 52.92 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -82.89 -18.48 40.09 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.023 0.929 . . . . 0.0 112.798 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -130.61 -59.63 1.01 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -167.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -102.16 -50.82 3.53 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -166.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.12 162.92 12.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.174 1.39 . . . . 0.0 112.439 170.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.4 t -108.74 134.94 50.78 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.61 1.964 . . . . 0.0 112.184 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -86.31 -10.91 53.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.14 -158.94 14.17 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 124.426 1.012 . . . . 0.0 114.14 -169.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.04 0.4 36.0 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.7 t -158.25 145.9 13.59 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.949 1.3 . . . . 0.0 111.209 -174.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -63.72 143.63 87.15 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.125 2.55 . . . . 0.0 110.197 169.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.98 34.7 0.03 OUTLIER Glycine 0 N--CA 1.475 1.262 0 N-CA-C 116.008 1.163 . . . . 0.0 116.008 -169.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -121.47 -173.56 2.66 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.038 1.735 . . . . 0.0 110.223 175.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.24 -28.64 63.1 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -168.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.57 7.65 35.19 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.5 t30 56.46 47.97 17.74 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.711 1.604 . . . . 0.0 112.648 170.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.7 p -150.9 143.63 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.563 1.545 . . . . 0.0 110.027 -170.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -96.25 137.27 35.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.852 1.261 . . . . 0.0 111.376 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.5 m -48.84 -36.6 17.26 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.266 1.826 . . . . 0.0 114.385 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -70.79 -31.65 68.49 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -70.39 -15.81 62.89 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.73 -1.232 . . . . 0.0 112.713 175.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.21 -13.57 59.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.103 0.961 . . . . 0.0 112.338 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 mt -94.9 10.67 34.53 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.678 1.591 . . . . 0.0 112.89 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p -87.87 -171.13 3.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.149 1.38 . . . . 0.0 112.555 -173.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -90.7 1.35 56.92 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.737 2.015 . . . . 0.0 115.092 -173.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -132.54 122.68 25.19 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.086 1.354 . . . . 0.0 109.407 169.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.6 pt -66.35 -13.5 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.915 1.686 . . . . 0.0 113.38 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.8 t -53.07 -34.13 55.12 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.94 1.696 . . . . 0.0 114.486 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -63.83 -34.17 77.32 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.658 -0.651 . . . . 0.0 111.925 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.78 -40.01 15.39 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.092 1.357 . . . . 0.0 111.335 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.76 88.93 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.16 0.984 . . . . 0.0 112.963 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.39 -33.41 74.2 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.033 -1.042 . . . . 0.0 112.616 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 36.7 t -66.2 -40.33 90.3 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.964 0.906 . . . . 0.0 110.967 171.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.1 82.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.562 1.145 . . . . 0.0 113.088 173.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -60.42 -42.5 96.14 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.444 1.475 . . . . 0.0 112.415 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -68.08 -20.61 64.96 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 87.1 mt -81.08 -43.78 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.372 -0.83 . . . . 0.0 111.056 169.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -30.05 67.98 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.235 -0.916 . . . . 0.0 112.701 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -57.77 -20.28 33.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.559 1.543 . . . . 0.0 114.954 169.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -114.74 -32.7 5.74 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.503 1.521 . . . . 0.0 112.879 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -134.63 -3.97 2.59 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -169.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . 0.318 0.0 OUTLIER 43.82 -56.18 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 131.234 3.814 . . . . 0.0 117.407 -168.074 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -142.73 -9.22 0.82 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.459 1.903 . . . . 0.0 113.501 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.98 -12.65 60.0 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.063 1.345 . . . . 0.0 114.05 -171.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.35 -6.86 46.32 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.237 1.015 . . . . 0.0 113.469 173.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -123.47 142.67 50.77 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.856 1.663 . . . . 0.0 111.647 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -85.38 -39.02 18.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -170.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.52 -29.39 75.02 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.034 0.826 . . . . 0.0 113.109 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -62.96 -40.35 97.41 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 117.979 0.89 . . . . 0.0 113.041 175.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -94.95 -15.17 23.8 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -98.23 -22.1 16.33 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.6 1.16 . . . . 0.0 113.98 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -133.03 -47.17 0.85 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.6 m -70.3 -8.1 47.67 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 -170.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -74.6 -20.97 59.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.869 0.867 . . . . 0.0 112.913 174.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.73 -35.55 28.14 Favored Glycine 0 C--N 1.344 1.023 0 CA-C-N 118.762 0.71 . . . . 0.0 113.314 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -174.12 148.4 1.34 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.628 2.371 . . . . 0.0 110.391 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.4 mt -110.67 148.28 38.19 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.057 1.343 . . . . 0.0 110.71 170.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -71.91 150.5 55.31 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.393 2.729 . . . . 0.0 110.749 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -77.34 147.64 36.04 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 122.247 1.023 . . . . 0.0 111.457 170.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.3 pt -131.81 0.7 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.907 2.083 . . . . 0.0 112.626 -178.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 m -63.67 -13.02 38.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -173.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.3 p -89.06 -10.37 47.69 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.923 1.689 . . . . 0.0 114.13 172.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.9 m . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.077 1.751 . . . . 0.0 112.24 -176.279 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.54 165.76 31.25 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.752 2.021 . . . . 0.0 113.117 -178.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 m -99.98 148.71 24.21 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.987 1.715 . . . . 0.0 109.722 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -114.19 154.1 28.45 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.434 1.894 . . . . 0.0 110.095 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 t -94.44 161.77 14.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.822 1.249 . . . . 0.0 108.988 169.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -56.52 -47.53 79.16 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.28 0.945 . . . . 0.0 111.766 -175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -60.28 -37.72 81.38 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.81 -45.95 62.54 Favored Glycine 0 C--N 1.339 0.718 0 C-N-CA 124.141 0.877 . . . . 0.0 111.601 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.12 -49.75 74.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.149 1.38 . . . . 0.0 111.792 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -50.3 -45.87 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.886 0.874 . . . . 0.0 110.568 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -68.89 -43.41 75.33 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -61.94 -42.5 99.18 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.414 1.086 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.68 -40.46 69.58 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.984 0.914 . . . . 0.0 112.199 177.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -56.44 -40.48 74.86 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.321 0.509 . . . . 0.0 111.81 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.71 -28.7 63.87 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.099 0.96 . . . . 0.0 113.141 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.25 4.87 51.22 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.292 1.437 . . . . 0.0 114.317 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.83 32.27 8.11 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 124.564 1.078 . . . . 0.0 114.675 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -96.88 136.86 36.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.716 1.206 . . . . 0.0 109.458 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -72.18 134.14 45.52 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.621 0.768 . . . . 0.0 111.639 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.23 -24.98 65.28 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -78.85 -21.31 47.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.285 1.434 . . . . 0.0 112.504 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.6 mt -99.55 -13.24 19.53 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.992 1.317 . . . . 0.0 112.809 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.2 tpp -51.11 -43.75 61.16 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.4 1.48 . . . . 0.0 112.916 -174.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -54.44 -49.41 70.08 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.093 0.957 . . . . 0.0 112.375 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -61.9 -46.74 88.07 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.714 0.805 . . . . 0.0 110.669 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -63.26 -49.62 73.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.794 0.838 . . . . 0.0 112.368 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 m -67.13 -35.52 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.215 0.916 . . . . 0.0 111.839 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.13 -32.87 67.33 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.957 0.799 . . . . 0.0 112.804 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.31 -55.25 22.59 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.931 1.692 . . . . 0.0 109.496 169.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.9 t -59.77 -39.15 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.05 0.94 . . . . 0.0 112.055 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.92 -19.24 64.96 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -95.64 -36.45 11.22 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.639 1.109 . . . . 0.0 112.368 172.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -74.22 -57.39 3.99 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.174 0.59 . . . . 0.0 111.314 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -112.8 -8.85 13.72 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.14 -0.975 . . . . 0.0 113.381 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m 63.52 24.85 14.22 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.81 1.244 . . . . 0.0 112.786 -169.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 71.27 28.74 2.94 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.626 1.57 . . . . 0.0 112.538 -174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -118.55 115.07 23.82 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.9 1.28 . . . . 0.0 112.216 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.1 p -64.91 -25.69 67.99 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.8 m -79.5 -5.68 55.34 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -74.44 140.41 44.63 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.875 -1.141 . . . . 0.0 113.034 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.5 p -137.75 156.15 48.28 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.005 1.722 . . . . 0.0 111.988 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -148.0 131.96 17.18 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.011 1.324 . . . . 0.0 111.413 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 m -88.18 144.23 26.58 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.717 1.207 . . . . 0.0 110.054 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -103.46 157.3 17.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.449 1.499 . . . . 0.0 111.81 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -63.45 -22.37 66.85 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.267 1.027 . . . . 0.0 113.13 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -81.8 -0.62 44.13 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.651 1.58 . . . . 0.0 113.666 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.33 -2.11 84.82 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.567 1.556 . . . . 0.0 115.325 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.5 p -86.99 164.65 16.38 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.293 1.437 . . . . 0.0 111.71 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -127.62 150.93 49.51 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.86 -1.15 . . . . 0.0 111.361 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -104.45 143.41 33.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.782 2.033 . . . . 0.0 110.164 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -141.22 150.09 42.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.036 1.334 . . . . 0.0 113.2 -170.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.52 -176.25 50.61 Favored Glycine 0 N--CA 1.468 0.803 0 CA-C-O 121.89 0.716 . . . . 0.0 113.987 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 tp -65.18 -23.1 67.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 -168.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -105.57 9.46 33.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.338 1.055 . . . . 0.0 111.774 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 50.84 57.04 7.08 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.542 1.537 . . . . 0.0 111.504 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.1 mt -84.21 136.08 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 125.276 1.43 . . . . 0.0 109.748 -172.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -94.46 138.78 31.97 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -169.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -67.89 -10.92 57.17 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -102.58 -15.79 16.29 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.692 1.197 . . . . 0.0 112.325 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -118.14 -28.21 5.89 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -168.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -147.33 -51.11 0.19 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -168.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -98.55 168.85 9.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.85 1.26 . . . . 0.0 112.186 169.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -115.46 135.63 53.91 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.971 1.708 . . . . 0.0 112.355 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -77.08 -13.93 59.88 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.7 -167.31 26.09 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.016 0.817 . . . . 0.0 113.256 -171.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.17 -8.66 59.53 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.2 m -139.29 150.77 65.49 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 126.343 1.857 . . . . 0.0 110.692 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.25 154.83 71.32 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.225 2.617 . . . . 0.0 110.58 173.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.5 54.15 0.01 OUTLIER Glycine 0 N--CA 1.472 1.062 0 N-CA-C 114.249 0.46 . . . . 0.0 114.249 -173.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -143.89 -175.29 4.53 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.902 2.081 . . . . 0.0 110.276 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.67 -23.99 45.58 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -169.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 72.1 m -113.64 10.45 18.0 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.832 1.253 . . . . 0.0 114.316 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.7 t30 56.48 47.63 18.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.922 1.689 . . . . 0.0 112.586 171.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.1 p -152.72 148.49 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.302 1.441 . . . . 0.0 110.27 -170.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -103.2 135.36 44.99 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.599 1.56 . . . . 0.0 111.105 -173.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.1 m -50.24 -37.4 35.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.204 1.402 . . . . 0.0 114.152 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -76.06 -26.65 56.75 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -22.19 63.69 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.812 -1.18 . . . . 0.0 112.174 173.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.66 -13.75 61.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.679 0.792 . . . . 0.0 112.67 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.2 mt -94.21 1.85 55.98 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.41 1.484 . . . . 0.0 112.79 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.0 p -79.34 170.07 17.15 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.782 1.233 . . . . 0.0 111.615 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -78.52 6.47 8.53 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -169.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -127.8 123.29 34.85 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.313 1.445 . . . . 0.0 109.207 169.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.5 pt -66.02 -14.1 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.405 1.482 . . . . 0.0 113.327 -176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.1 t -54.57 -33.26 59.91 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.59 1.556 . . . . 0.0 114.538 -169.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -36.16 82.77 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.567 -0.708 . . . . 0.0 111.501 176.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.13 -40.42 18.25 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.538 1.135 . . . . 0.0 111.264 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.53 93.72 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.048 0.939 . . . . 0.0 112.974 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -65.45 -35.14 80.03 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.94 -1.1 . . . . 0.0 112.653 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 36.1 t -67.44 -39.72 85.4 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.602 0.761 . . . . 0.0 111.22 172.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.41 88.88 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.195 0.998 . . . . 0.0 112.587 172.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -61.28 -42.25 98.33 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.234 1.379 . . . . 0.0 112.55 170.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.74 -26.36 66.95 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.2 mt -74.93 -44.89 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.41 -0.806 . . . . 0.0 110.644 169.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -24.59 57.75 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.077 1.351 . . . . 0.0 114.081 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -58.03 -19.14 29.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.628 1.571 . . . . 0.0 114.942 169.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -127.53 -32.06 2.44 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.288 1.435 . . . . 0.0 112.789 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -140.39 85.52 2.01 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.663 1.585 . . . . 0.0 110.538 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -54.24 -38.57 65.91 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -170.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -142.78 -15.84 0.71 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.106 1.362 . . . . 0.0 113.532 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.58 -14.83 62.2 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.667 1.187 . . . . 0.0 114.137 -172.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.85 -7.29 47.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.381 1.072 . . . . 0.0 113.67 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.6 m-90 -125.89 127.93 46.8 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 125.42 1.488 . . . . 0.0 111.582 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.97 -33.22 67.98 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -171.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.32 -38.95 95.44 Favored Glycine 0 C--N 1.339 0.724 0 C-N-CA 124.032 0.825 . . . . 0.0 113.16 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -64.39 -41.51 96.63 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -83.67 -9.95 58.51 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -95.42 -34.7 12.01 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.153 1.381 . . . . 0.0 113.984 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.91 -32.14 0.81 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.689 1.737 . . . . 0.0 115.689 -173.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 59.6 m -70.78 -9.89 58.35 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 120.815 -1.178 . . . . 0.0 114.062 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -72.74 -23.01 60.78 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.224 1.009 . . . . 0.0 112.538 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -88.67 -49.53 3.6 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 124.305 0.955 . . . . 0.0 112.81 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.0 m -153.54 145.35 23.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.045 1.338 . . . . 0.0 111.699 -174.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.2 mt -119.53 150.01 49.06 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 125.599 1.56 . . . . 0.0 110.976 171.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -74.2 157.69 45.9 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.798 2.999 . . . . 0.0 110.939 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -79.03 148.77 32.38 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 122.166 0.984 . . . . 0.0 111.734 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.0 pt -128.01 -1.5 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.908 2.083 . . . . 0.0 112.679 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.0 m -66.5 -14.27 62.04 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.46 1.104 . . . . 0.0 113.937 -174.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.3 p -88.12 -10.31 50.45 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.949 1.699 . . . . 0.0 113.996 173.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.797 1.639 . . . . 0.0 112.133 -176.426 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.056 0 N-CA-C 111.921 -0.472 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -157.03 163.7 38.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.769 1.628 . . . . 0.0 112.672 -172.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 m -106.49 135.58 47.74 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.799 1.239 . . . . 0.0 110.654 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -103.26 155.82 18.17 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.282 1.833 . . . . 0.0 110.677 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 p -82.47 169.05 16.82 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.508 1.123 . . . . 0.0 108.504 166.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -60.99 -37.92 84.17 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.86 -0.525 . . . . 0.0 109.6 167.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.4 m -64.86 -40.95 95.94 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.17 -44.88 58.66 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 124.331 0.967 . . . . 0.0 111.429 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.42 -47.8 77.75 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.427 1.114 . . . . 0.0 112.254 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.37 -41.71 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 119.29 0.95 . . . . 0.0 110.892 175.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -73.66 -42.03 61.91 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.231 1.012 . . . . 0.0 113.161 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.22 -39.25 93.59 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.248 1.019 . . . . 0.0 111.051 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -73.88 -38.45 64.4 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.449 -0.782 . . . . 0.0 111.99 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -56.08 -43.01 77.61 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.091 0.557 . . . . 0.0 111.93 170.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -65.61 -36.99 85.32 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.987 0.915 . . . . 0.0 112.34 173.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -86.23 -2.47 58.41 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.15 24.01 8.22 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.763 1.173 . . . . 0.0 115.172 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -88.4 136.4 33.0 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.552 1.141 . . . . 0.0 109.936 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -69.81 131.83 45.11 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.424 0.69 . . . . 0.0 110.931 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -66.79 -19.38 65.73 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -176.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -76.09 -23.9 54.98 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 171.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.2 mt -90.83 -16.63 27.96 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.542 1.137 . . . . 0.0 112.332 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.4 tpp -50.18 -44.56 52.9 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.669 1.588 . . . . 0.0 113.435 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -55.4 -42.52 74.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.085 0.954 . . . . 0.0 113.015 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -67.98 -47.24 69.11 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.357 0.663 . . . . 0.0 111.164 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -62.14 -48.68 79.05 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.577 0.751 . . . . 0.0 112.51 -178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 m -66.5 -35.78 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 119.186 0.903 . . . . 0.0 111.853 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -71.2 -38.45 72.06 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.077 0.853 . . . . 0.0 112.188 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.32 -55.5 33.94 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.581 1.552 . . . . 0.0 109.844 169.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.9 t -60.1 -39.92 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.968 0.907 . . . . 0.0 112.173 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -63.69 -26.59 68.73 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -86.37 -39.06 16.79 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.585 1.084 . . . . 0.0 112.266 172.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.1 -55.78 5.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.034 0.534 . . . . 0.0 111.345 -172.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.9 p -112.57 -11.25 13.61 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m 68.03 24.15 7.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.574 1.55 . . . . 0.0 112.762 -169.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 69.68 27.81 4.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.171 1.388 . . . . 0.0 112.481 -175.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -119.0 118.42 31.45 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.254 1.422 . . . . 0.0 111.406 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.6 p -68.16 -25.61 65.34 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 119.078 -0.487 . . . . 0.0 112.082 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.8 m -77.67 -4.53 46.58 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -73.51 144.37 46.18 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.913 -1.117 . . . . 0.0 112.882 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 p -146.15 152.43 39.25 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.548 1.939 . . . . 0.0 111.382 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -149.51 124.23 9.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.445 1.498 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 m -92.97 142.73 26.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.942 1.297 . . . . 0.0 110.537 -176.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -106.16 159.63 15.94 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.573 1.549 . . . . 0.0 112.254 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -63.65 -23.36 67.34 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.57 1.148 . . . . 0.0 113.316 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -71.28 -15.59 62.43 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.591 1.556 . . . . 0.0 113.764 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.24 -4.94 74.63 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.549 1.547 . . . . 0.0 114.077 -176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.9 p -80.38 162.43 24.49 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.981 1.313 . . . . 0.0 111.762 170.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -128.74 150.18 50.39 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.686 1.194 . . . . 0.0 111.221 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -101.72 139.88 36.77 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.317 1.847 . . . . 0.0 109.462 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -138.79 148.99 44.48 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.573 1.149 . . . . 0.0 113.046 -169.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.53 -175.35 53.23 Favored Glycine 0 N--CA 1.467 0.715 0 O-C-N 121.51 -0.743 . . . . 0.0 114.282 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.97 -21.7 66.88 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -168.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -108.49 9.96 27.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.492 1.117 . . . . 0.0 111.673 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 50.31 57.46 6.56 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.821 1.648 . . . . 0.0 111.508 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.9 mt -84.5 133.35 29.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.301 1.44 . . . . 0.0 109.747 -171.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -93.59 137.92 32.37 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -170.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -66.37 -11.56 52.02 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -83.54 -18.01 39.84 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.003 0.921 . . . . 0.0 112.758 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -130.77 -59.1 1.01 Allowed 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -167.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -102.8 -50.79 3.44 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -166.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -102.12 162.97 12.5 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.363 1.465 . . . . 0.0 111.865 169.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.6 t -111.05 135.74 51.11 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.878 1.671 . . . . 0.0 112.447 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -78.85 -13.73 59.64 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.57 -167.16 25.31 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.045 0.831 . . . . 0.0 112.971 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.23 -7.92 57.71 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.8 m -139.5 150.77 64.86 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 126.058 1.743 . . . . 0.0 111.068 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -68.92 157.01 63.57 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.452 2.768 . . . . 0.0 110.725 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.57 40.82 0.02 OUTLIER Glycine 0 N--CA 1.476 1.342 0 N-CA-C 116.181 1.232 . . . . 0.0 116.181 -176.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -128.32 -173.25 2.9 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.309 1.844 . . . . 0.0 110.425 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -57.27 -26.78 61.36 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -169.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 62.9 m -105.9 7.29 32.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.589 1.156 . . . . 0.0 113.919 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.4 t30 56.49 48.32 16.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.939 1.695 . . . . 0.0 112.56 172.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -150.89 153.59 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 125.325 1.45 . . . . 0.0 110.664 -171.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -105.93 136.27 45.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.259 1.823 . . . . 0.0 111.174 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.6 m -51.55 -36.51 45.4 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.255 1.422 . . . . 0.0 113.91 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -72.23 -29.98 64.47 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -14.44 62.46 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.736 -1.228 . . . . 0.0 112.162 171.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.45 -14.59 58.16 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.028 0.831 . . . . 0.0 112.446 172.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.1 mt -94.62 6.76 47.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.526 1.53 . . . . 0.0 113.04 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -79.97 -179.61 7.08 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.466 1.507 . . . . 0.0 111.991 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -91.67 9.16 33.55 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.358 1.463 . . . . 0.0 113.819 -170.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -132.92 126.36 31.94 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.031 1.732 . . . . 0.0 108.031 168.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.9 pt -67.79 -14.14 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.491 1.116 . . . . 0.0 113.179 -174.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.5 t -53.08 -37.55 61.77 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.624 1.569 . . . . 0.0 114.265 -169.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -61.7 -32.51 72.72 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.385 -0.822 . . . . 0.0 112.196 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.59 -39.04 15.43 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.826 1.25 . . . . 0.0 111.729 174.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.65 -39.77 80.54 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.452 1.101 . . . . 0.0 113.4 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -69.65 -33.27 72.38 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.912 -1.117 . . . . 0.0 112.322 173.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 37.7 t -68.68 -35.32 77.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.263 1.025 . . . . 0.0 111.485 172.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.97 91.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.128 0.971 . . . . 0.0 112.394 171.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.16 -42.31 98.32 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.955 1.252 . . . . 0.0 112.549 170.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.81 -24.96 67.02 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.019 0.928 . . . . 0.0 112.997 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 84.9 mt -77.12 -46.44 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.964 0.906 . . . . 0.0 110.462 168.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.82 -25.82 56.75 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.519 1.528 . . . . 0.0 113.918 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -55.41 -27.18 46.08 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.411 1.484 . . . . 0.0 114.416 169.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -115.59 -34.89 4.72 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.544 1.538 . . . . 0.0 112.307 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -143.62 88.26 1.98 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.573 1.549 . . . . 0.0 110.751 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -54.35 -38.55 66.2 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -170.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -142.21 -10.32 0.86 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.248 1.419 . . . . 0.0 113.328 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -76.18 -12.61 60.13 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -171.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.88 -5.21 39.71 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.139 0.976 . . . . 0.0 113.631 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -125.93 143.99 50.86 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.679 1.592 . . . . 0.0 111.77 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -86.87 -37.32 17.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -169.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.02 -34.2 88.16 Favored Glycine 0 N--CA 1.471 0.978 0 C-N-CA 123.695 0.664 . . . . 0.0 113.328 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -61.7 -41.27 97.38 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -94.93 -17.57 21.87 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.34 -20.96 19.29 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -138.94 -44.2 0.47 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 m -70.78 -7.0 41.88 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -172.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -72.69 -22.88 60.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.029 0.932 . . . . 0.0 112.958 173.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.7 -35.26 25.8 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 118.724 0.693 . . . . 0.0 113.551 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -173.19 145.73 1.36 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 127.36 2.264 . . . . 0.0 110.369 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.7 mt -111.04 148.86 39.54 Favored Pre-proline 0 CA--C 1.543 0.709 0 C-N-CA 124.979 1.311 . . . . 0.0 111.163 172.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -70.64 153.43 64.89 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 123.773 2.982 . . . . 0.0 111.04 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -77.57 148.09 35.36 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 122.275 1.036 . . . . 0.0 111.647 170.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.9 pt -129.94 -0.09 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.997 2.119 . . . . 0.0 112.636 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.8 m -62.96 -17.02 61.47 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -173.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 m -83.46 -6.32 59.42 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.051 1.341 . . . . 0.0 113.849 173.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.858 1.663 . . . . 0.0 112.061 -175.28 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.171 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -155.92 162.37 40.4 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.613 1.565 . . . . 0.0 112.718 -171.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -109.45 136.59 48.61 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.11 1.364 . . . . 0.0 110.334 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -104.42 155.05 19.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.089 1.755 . . . . 0.0 110.709 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.0 t -93.88 162.43 13.91 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.866 1.266 . . . . 0.0 108.683 168.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.3 -47.73 78.07 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.456 1.025 . . . . 0.0 111.787 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.4 m -59.86 -38.87 83.37 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.64 -0.662 . . . . 0.0 112.768 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.83 -45.54 73.86 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 124.057 0.836 . . . . 0.0 111.691 176.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.01 -50.03 73.69 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.054 1.341 . . . . 0.0 111.797 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.24 -45.3 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.744 0.818 . . . . 0.0 110.606 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -68.79 -43.68 75.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.985 0.914 . . . . 0.0 113.46 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.36 -38.14 88.38 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.05 1.34 . . . . 0.0 111.274 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.49 -41.08 48.31 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.008 0.923 . . . . 0.0 112.284 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -55.9 -40.58 73.24 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 118.451 0.569 . . . . 0.0 111.492 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -66.37 -41.65 89.13 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.516 1.926 . . . . 0.0 112.254 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -82.26 -5.18 58.36 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.33 39.83 2.73 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 124.751 1.167 . . . . 0.0 114.459 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -105.04 138.48 41.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.374 1.47 . . . . 0.0 109.332 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.38 141.57 38.27 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.201 0.6 . . . . 0.0 112.082 -172.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -38.83 63.0 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.817 1.247 . . . . 0.0 113.925 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.39 -14.81 60.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.1 mt -100.99 -20.33 15.46 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.02 1.328 . . . . 0.0 112.079 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.5 tpp -49.78 -44.97 49.24 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.04 1.736 . . . . 0.0 113.011 -174.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -55.18 -48.57 73.61 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.021 0.929 . . . . 0.0 112.428 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -65.06 -44.13 89.98 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.556 0.742 . . . . 0.0 111.481 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -62.71 -48.94 77.05 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.256 0.622 . . . . 0.0 112.494 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 m -67.81 -35.07 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 119.221 0.919 . . . . 0.0 111.924 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -71.79 -32.18 67.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.715 0.689 . . . . 0.0 112.664 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.91 -54.34 27.77 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.091 1.756 . . . . 0.0 109.927 169.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.03 -40.48 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.026 0.93 . . . . 0.0 111.891 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.93 -31.74 72.08 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -85.6 -29.31 24.2 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -81.62 -59.12 2.72 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.945 0.898 . . . . 0.0 111.624 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -113.21 -10.24 13.39 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -174.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m 67.55 23.64 8.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.429 1.492 . . . . 0.0 112.816 -169.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 mtm-85 70.38 29.17 3.6 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.251 1.42 . . . . 0.0 112.192 -175.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -121.77 117.52 26.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.09 1.356 . . . . 0.0 111.391 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.5 p -67.75 -27.14 66.53 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 122.247 -0.283 . . . . 0.0 111.637 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 m -74.86 -5.47 43.8 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -74.71 145.22 43.27 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.897 -1.127 . . . . 0.0 112.851 -174.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.0 p -145.3 156.66 43.94 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.097 1.759 . . . . 0.0 111.823 175.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -147.5 131.69 17.4 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.022 1.329 . . . . 0.0 111.373 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.3 m -89.91 144.21 26.13 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.95 1.3 . . . . 0.0 110.132 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -106.46 158.36 16.96 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.14 1.376 . . . . 0.0 111.576 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -61.6 -24.02 66.4 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.383 1.073 . . . . 0.0 113.259 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -69.5 -18.75 63.72 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.742 1.617 . . . . 0.0 114.091 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.31 -4.16 70.01 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.336 1.446 . . . . 0.0 114.247 -175.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.2 p -82.9 159.2 22.38 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.927 1.291 . . . . 0.0 111.176 169.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -127.37 153.03 46.73 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.618 1.167 . . . . 0.0 111.18 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -103.55 143.33 32.88 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.596 1.958 . . . . 0.0 110.011 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -140.9 147.23 38.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.638 1.175 . . . . 0.0 113.422 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.26 -175.82 53.82 Favored Glycine 0 N--CA 1.467 0.727 0 CA-C-O 121.92 0.734 . . . . 0.0 114.292 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -21.59 66.8 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -168.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -107.85 9.06 28.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.584 1.153 . . . . 0.0 111.771 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 50.14 57.89 6.07 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.839 1.656 . . . . 0.0 111.574 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.6 mt -84.13 134.2 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.222 1.409 . . . . 0.0 109.457 -172.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -93.98 139.61 30.72 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -170.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.53 -9.63 27.87 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 116.491 2.034 . . . . 0.0 116.491 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -89.11 -15.79 33.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.959 1.304 . . . . 0.0 113.666 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -135.36 -47.78 0.7 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -167.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -117.71 -41.39 2.93 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -167.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -111.63 165.19 12.24 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.614 1.166 . . . . 0.0 112.052 168.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -118.36 136.98 53.42 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.752 1.221 . . . . 0.0 112.372 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -85.83 -11.32 53.7 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.82 -170.49 29.29 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.01 0.815 . . . . 0.0 112.371 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.39 4.26 18.58 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 -177.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -148.75 143.56 17.33 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.579 1.552 . . . . 0.0 110.562 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.16 159.93 51.0 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.546 2.831 . . . . 0.0 111.603 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.05 72.65 0.03 OUTLIER Glycine 0 N--CA 1.472 1.087 0 O-C-N 121.888 -0.507 . . . . 0.0 114.283 -175.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -154.49 -176.78 6.06 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.356 2.263 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.96 -27.16 60.99 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.625 1.57 . . . . 0.0 114.075 175.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 55.8 m -105.67 0.26 26.19 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.653 1.181 . . . . 0.0 114.039 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 55.94 50.38 14.02 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.609 1.563 . . . . 0.0 112.898 170.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.2 p -149.6 151.34 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.717 1.207 . . . . 0.0 111.469 -171.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -104.26 135.83 44.98 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.537 1.935 . . . . 0.0 111.147 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.3 m -51.87 -37.46 52.25 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.524 1.529 . . . . 0.0 113.813 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -73.69 -28.31 61.68 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -10.86 60.38 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.807 -1.183 . . . . 0.0 112.478 171.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.8 mt -84.18 -14.6 49.69 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.678 0.672 . . . . 0.0 112.272 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 mt -93.81 8.09 42.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.588 1.555 . . . . 0.0 112.903 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.4 t -84.08 -175.48 5.82 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.677 1.591 . . . . 0.0 112.181 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -93.83 11.48 29.19 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.681 1.592 . . . . 0.0 113.921 -169.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -139.13 127.05 22.21 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.061 1.744 . . . . 0.0 108.431 168.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.7 pt -71.11 -12.82 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.5 1.12 . . . . 0.0 113.174 -173.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.1 t -56.92 -33.93 67.45 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -169.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -32.85 73.49 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.125 -0.985 . . . . 0.0 112.044 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.26 -39.94 16.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.342 1.057 . . . . 0.0 111.618 174.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.45 -41.6 84.46 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.855 0.862 . . . . 0.0 113.266 -176.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -68.04 -32.92 73.61 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.721 -1.237 . . . . 0.0 112.411 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.0 t -67.97 -37.48 81.59 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.816 0.846 . . . . 0.0 111.222 171.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.74 91.95 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.162 0.985 . . . . 0.0 112.583 171.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.19 -42.27 98.28 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 120.359 1.436 . . . . 0.0 112.328 170.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -66.02 -22.26 66.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.8 mt -80.85 -45.53 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.044 0.937 . . . . 0.0 110.753 168.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -28.15 55.96 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.216 1.406 . . . . 0.0 113.598 177.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.77 -20.5 35.63 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.055 1.742 . . . . 0.0 114.801 169.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -116.01 -38.39 3.65 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.831 1.653 . . . . 0.0 112.082 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -145.3 95.87 2.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.608 1.563 . . . . 0.0 110.809 -176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -54.33 -39.18 66.81 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -170.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -142.56 -17.14 0.71 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.146 1.378 . . . . 0.0 113.457 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -72.26 -14.32 61.74 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -172.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.27 -9.37 55.76 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.271 1.028 . . . . 0.0 113.592 172.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 -121.05 124.57 45.14 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.391 1.476 . . . . 0.0 111.749 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -71.05 -32.15 68.78 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -173.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.48 -37.44 94.45 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 123.78 0.705 . . . . 0.0 112.716 -178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -64.2 -44.79 90.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 117.767 0.783 . . . . 0.0 112.613 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -78.07 -10.19 59.5 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -90.25 -34.66 15.68 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.948 1.299 . . . . 0.0 113.602 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.16 -24.49 0.99 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -170.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 84.1 m -76.49 -7.02 54.27 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 120.051 1.296 . . . . 0.0 113.844 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -77.67 -21.56 51.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.35 1.06 . . . . 0.0 112.836 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -88.33 -39.28 6.87 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 124.026 0.822 . . . . 0.0 113.62 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.6 t -170.32 153.9 4.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.656 1.582 . . . . 0.0 111.264 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.5 mt -121.26 150.14 53.38 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.798 1.639 . . . . 0.0 111.766 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -71.41 156.72 58.04 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.853 3.036 . . . . 0.0 111.214 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -78.31 152.05 32.64 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 122.217 1.008 . . . . 0.0 112.175 173.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.8 pt -131.56 -3.36 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 127.001 2.12 . . . . 0.0 113.056 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.0 t -67.6 -18.81 65.12 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.101 -0.999 . . . . 0.0 112.737 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.8 p -80.56 -10.69 59.73 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.772 1.629 . . . . 0.0 114.219 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.696 1.598 . . . . 0.0 112.119 -176.353 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 N-CA-C 112.231 -0.347 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -159.2 165.57 33.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.518 1.927 . . . . 0.0 112.412 -175.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 m -110.82 131.46 55.03 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.638 1.175 . . . . 0.0 110.485 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -96.39 156.85 16.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.094 1.757 . . . . 0.0 110.744 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -95.68 160.8 14.31 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.836 1.255 . . . . 0.0 108.491 168.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.01 -45.92 78.93 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.476 1.035 . . . . 0.0 111.73 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.6 m -61.34 -33.68 74.02 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.91 -46.38 29.46 Favored Glycine 0 C--N 1.339 0.742 0 C-N-CA 124.279 0.942 . . . . 0.0 111.435 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.02 -48.83 78.52 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.131 1.373 . . . . 0.0 112.068 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.9 t -50.52 -45.34 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.008 0.822 . . . . 0.0 110.525 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -69.84 -41.52 74.79 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.123 0.969 . . . . 0.0 113.311 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.01 -41.45 99.56 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.384 1.074 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.81 -37.93 67.35 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.026 0.93 . . . . 0.0 112.224 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -58.54 -40.97 84.45 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.922 0.489 . . . . 0.0 111.91 172.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.57 -33.82 75.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.671 0.788 . . . . 0.0 112.565 172.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -88.97 5.53 43.77 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.962 1.305 . . . . 0.0 114.509 -175.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.36 23.55 21.51 Favored Glycine 0 N--CA 1.473 1.135 0 C-N-CA 124.63 1.11 . . . . 0.0 115.377 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.409 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 6.8 m-85 -88.08 140.85 29.07 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.536 1.168 . . . . 0.0 109.954 174.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -77.97 138.02 38.62 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.493 0.717 . . . . 0.0 111.967 -174.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.59 -26.06 67.73 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 114.15 1.166 . . . . 0.0 114.15 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -83.13 -17.48 42.86 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.4 mt -96.21 -19.38 19.37 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.537 1.135 . . . . 0.0 112.249 173.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.7 tpp -46.55 -45.02 18.41 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.497 1.919 . . . . 0.0 113.3 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -55.77 -48.34 75.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.479 1.112 . . . . 0.0 112.94 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -64.1 -43.09 96.41 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.173 0.589 . . . . 0.0 111.41 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -64.1 -49.51 71.97 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.298 0.639 . . . . 0.0 112.687 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 m -66.67 -33.91 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 119.062 0.846 . . . . 0.0 111.701 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -73.28 -33.36 65.19 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.789 0.722 . . . . 0.0 112.706 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.99 -53.77 44.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.769 1.628 . . . . 0.0 109.888 169.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.5 t -60.17 -40.65 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.034 0.934 . . . . 0.0 111.758 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -62.88 -26.71 68.91 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -86.2 -35.55 20.0 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -78.37 -48.43 15.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.325 0.65 . . . . 0.0 111.867 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -121.65 -12.72 8.46 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m 62.38 32.41 16.88 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.688 0.795 . . . . 0.0 111.612 -167.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 72.9 27.84 2.08 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.052 1.741 . . . . 0.0 112.749 176.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -118.41 115.57 24.93 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.553 1.541 . . . . 0.0 111.838 -175.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.3 p -68.01 -25.06 65.21 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.6 m -75.37 -4.86 41.83 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.4 1.0 . . . . 0.0 113.694 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -77.05 144.57 38.5 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.075 -1.016 . . . . 0.0 113.383 -171.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.1 p -145.05 158.16 43.9 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.688 1.995 . . . . 0.0 111.903 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -152.61 133.09 13.76 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.269 1.428 . . . . 0.0 111.441 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 m -89.58 148.06 23.58 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.117 1.367 . . . . 0.0 110.668 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -110.6 158.74 18.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.646 1.579 . . . . 0.0 112.019 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.57 -23.57 67.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.61 1.164 . . . . 0.0 113.565 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -80.74 -4.36 54.18 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.172 1.389 . . . . 0.0 114.16 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.22 -2.35 83.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.235 1.397 . . . . 0.0 114.714 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.5 p -82.48 165.14 20.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.798 1.239 . . . . 0.0 111.662 170.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -132.69 150.82 52.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.632 1.173 . . . . 0.0 110.937 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -103.23 141.53 35.73 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.727 2.011 . . . . 0.0 109.465 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -137.43 151.16 48.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.386 1.075 . . . . 0.0 113.617 -169.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.49 -152.41 29.12 Favored Glycine 0 N--CA 1.463 0.47 0 C-N-CA 123.749 0.69 . . . . 0.0 114.075 169.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -88.36 -21.76 24.18 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -112.8 10.51 19.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.802 1.641 . . . . 0.0 111.378 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 54.66 52.9 11.4 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.212 1.805 . . . . 0.0 110.927 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.5 mt -81.84 133.09 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.505 1.122 . . . . 0.0 109.109 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.67 137.26 34.0 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -169.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.65 -10.85 21.04 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 116.466 2.025 . . . . 0.0 116.466 -176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -90.41 -15.81 30.26 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.892 1.277 . . . . 0.0 113.345 -177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -131.15 -52.95 1.04 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -167.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -110.28 -52.51 2.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.512 0.725 . . . . 0.0 112.086 -167.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.83 172.86 7.17 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.384 1.474 . . . . 0.0 111.743 169.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.51 140.77 51.64 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.219 1.008 . . . . 0.0 112.617 176.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -88.91 -11.22 45.14 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -176.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.93 -175.41 32.13 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.26 0.934 . . . . 0.0 112.315 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.1 -1.81 6.67 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -172.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -156.04 145.43 15.23 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 126.284 1.834 . . . . 0.0 109.966 -169.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.95 150.19 88.45 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.225 2.617 . . . . 0.0 110.823 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.64 32.59 0.03 OUTLIER Glycine 0 N--CA 1.475 1.259 0 N-CA-C 118.571 2.188 . . . . 0.0 118.571 -171.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -124.6 -164.36 1.26 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 118.794 1.297 . . . . 0.0 111.716 169.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.72 -31.99 65.06 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -168.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 82.1 m -100.3 4.52 44.15 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 56.98 47.39 17.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.689 1.596 . . . . 0.0 112.143 169.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.3 p -147.0 152.12 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.698 1.599 . . . . 0.0 110.06 -171.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -105.18 136.56 44.47 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.572 1.549 . . . . 0.0 110.134 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.7 m -50.64 -35.21 29.45 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.95 1.3 . . . . 0.0 113.701 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -71.93 -31.65 66.56 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.48 -12.33 61.56 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 120.617 -1.302 . . . . 0.0 112.516 172.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.37 -14.14 55.72 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.473 -0.767 . . . . 0.0 112.248 172.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 mt -96.56 9.56 41.09 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.617 1.567 . . . . 0.0 113.319 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.3 t -89.14 -175.68 4.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.621 1.568 . . . . 0.0 112.335 -173.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -86.16 -4.22 59.12 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -172.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -122.4 124.04 42.74 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.377 1.471 . . . . 0.0 109.484 169.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.0 pt -67.36 -14.69 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 125.046 1.339 . . . . 0.0 113.348 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -51.79 -37.63 52.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.16 1.784 . . . . 0.0 114.871 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -64.84 -29.82 70.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.545 -0.722 . . . . 0.0 112.747 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.16 -40.73 14.34 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.538 1.135 . . . . 0.0 111.489 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.9 89.35 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.52 1.128 . . . . 0.0 113.053 -175.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.29 -33.25 71.33 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.105 -0.997 . . . . 0.0 112.693 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 33.8 t -66.57 -38.51 87.21 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.832 0.853 . . . . 0.0 111.068 171.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.93 85.16 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.333 1.053 . . . . 0.0 112.554 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.409 ' HD3' ' CE1' ' A' ' 18' ' ' PHE . 20.2 mmmt -62.29 -41.75 98.76 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.194 1.361 . . . . 0.0 112.48 171.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -66.51 -25.21 66.58 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.8 mt -74.94 -46.14 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 121.354 -0.841 . . . . 0.0 110.514 168.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -27.25 61.57 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.906 1.282 . . . . 0.0 114.098 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -55.67 -28.91 58.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.18 1.392 . . . . 0.0 114.36 169.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -109.6 -36.41 5.96 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.603 1.561 . . . . 0.0 111.939 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -145.5 88.66 1.87 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.785 1.634 . . . . 0.0 110.649 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -53.46 -40.47 65.29 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -169.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -140.01 -9.85 1.16 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.203 1.401 . . . . 0.0 113.106 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.62 -16.11 60.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.761 1.224 . . . . 0.0 114.176 -170.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.76 -8.39 55.18 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.488 1.115 . . . . 0.0 113.584 173.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 25.6 m-90 -118.3 140.73 49.38 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.589 1.556 . . . . 0.0 112.245 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -89.56 -30.66 18.05 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.029 0.932 . . . . 0.0 113.202 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.44 -35.22 81.33 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.747 0.689 . . . . 0.0 112.901 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -63.86 -42.93 97.44 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.996 -0.708 . . . . 0.0 112.7 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -77.45 -10.15 59.3 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.113 -0.992 . . . . 0.0 113.662 173.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -85.33 -36.0 21.08 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.358 1.063 . . . . 0.0 113.421 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.21 -14.18 0.7 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 118.181 2.66 . . . . 0.0 118.181 -174.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 74.5 m -78.94 -5.82 54.68 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.436 1.471 . . . . 0.0 113.746 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -80.98 -24.05 38.31 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.354 1.062 . . . . 0.0 112.93 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.23 -37.64 6.61 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.068 0.842 . . . . 0.0 113.607 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.1 t -170.03 155.85 5.76 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.748 1.619 . . . . 0.0 111.122 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -121.27 151.27 55.65 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.774 1.63 . . . . 0.0 111.735 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.62 153.65 69.31 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.84 3.027 . . . . 0.0 111.582 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -77.56 142.16 39.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.932 0.893 . . . . 0.0 111.577 170.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.6 pt -131.78 -1.1 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.414 1.886 . . . . 0.0 113.0 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.2 p -67.57 -10.23 50.0 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -175.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.5 p -84.88 -11.52 55.44 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.904 1.682 . . . . 0.0 114.038 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.9 m . . . . . 0 C--O 1.251 1.145 0 C-N-CA 125.83 1.652 . . . . 0.0 112.193 -177.088 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 CA-C-O 121.681 0.6 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -157.27 164.79 37.29 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 128.137 2.575 . . . . 0.0 112.379 -174.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m -101.78 138.57 38.58 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.362 1.465 . . . . 0.0 110.644 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -103.0 154.53 19.15 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.467 1.907 . . . . 0.0 110.334 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.9 t -95.52 159.64 14.9 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.133 1.373 . . . . 0.0 108.965 169.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.48 -49.04 75.83 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.247 0.93 . . . . 0.0 112.093 -172.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 p -63.78 -31.44 72.62 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.49 -45.73 58.64 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.19 0.9 . . . . 0.0 111.445 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.24 -49.95 73.7 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.188 1.395 . . . . 0.0 111.705 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.21 -46.71 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.128 0.971 . . . . 0.0 110.545 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -68.67 -42.95 77.17 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.48 -40.84 98.17 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.116 0.967 . . . . 0.0 111.255 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -71.89 -39.36 69.64 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.712 0.805 . . . . 0.0 112.032 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -57.33 -40.79 78.7 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.294 0.497 . . . . 0.0 111.808 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -67.65 -35.75 79.47 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.053 0.941 . . . . 0.0 112.531 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -87.75 5.24 40.92 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.196 1.398 . . . . 0.0 114.482 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.62 32.36 8.17 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.612 1.101 . . . . 0.0 114.829 169.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -97.66 131.84 43.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.832 1.253 . . . . 0.0 109.478 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.44 137.82 57.71 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.886 0.874 . . . . 0.0 113.066 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.64 -29.42 70.61 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -75.49 -15.34 60.42 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 175.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.8 mt -104.33 -13.63 16.06 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.4 1.48 . . . . 0.0 112.771 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.9 tpp -52.94 -43.12 66.05 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.216 1.406 . . . . 0.0 112.957 -173.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -55.97 -48.15 76.35 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.264 1.026 . . . . 0.0 112.469 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -61.36 -47.5 85.59 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.564 0.746 . . . . 0.0 110.604 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.9 m95 -63.1 -50.32 71.0 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.739 0.816 . . . . 0.0 112.5 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.61 -35.44 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 119.375 0.989 . . . . 0.0 111.906 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.39 -37.0 74.45 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.839 0.745 . . . . 0.0 112.206 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.65 -51.86 63.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.354 1.462 . . . . 0.0 110.616 171.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.9 t -57.94 -39.03 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.484 -0.76 . . . . 0.0 111.788 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.5 -26.87 66.57 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -34.16 38.34 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.927 1.24 . . . . 0.0 112.029 173.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.02 -60.77 2.11 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.926 0.891 . . . . 0.0 111.881 -173.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.8 p -112.11 -7.55 14.07 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.213 -0.93 . . . . 0.0 113.11 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 m 62.05 24.11 14.31 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.66 1.184 . . . . 0.0 112.411 -169.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.1 mtm-85 73.27 28.72 1.78 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.032 1.733 . . . . 0.0 112.578 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -117.29 115.55 25.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.915 1.286 . . . . 0.0 112.157 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.9 p -66.09 -25.4 67.0 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -79.48 -6.98 58.09 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -73.15 140.66 47.21 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.82 -1.175 . . . . 0.0 112.901 -172.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.8 p -137.55 158.66 43.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.975 1.71 . . . . 0.0 111.584 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -149.48 131.83 15.6 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.979 1.311 . . . . 0.0 111.46 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.1 m -87.67 147.31 25.31 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.878 1.271 . . . . 0.0 110.146 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -110.31 157.72 19.19 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.583 1.553 . . . . 0.0 111.791 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -62.6 -23.87 67.27 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.481 1.112 . . . . 0.0 113.355 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -77.89 -7.49 56.79 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.492 1.517 . . . . 0.0 113.788 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.42 1.16 72.09 Favored Glycine 0 N--CA 1.475 1.277 0 C-N-CA 125.356 1.455 . . . . 0.0 114.9 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.8 p -87.26 165.35 15.73 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.374 1.47 . . . . 0.0 111.891 171.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -129.75 151.71 50.03 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.482 1.113 . . . . 0.0 111.287 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -102.86 145.36 29.91 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.496 1.919 . . . . 0.0 110.312 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -142.08 148.2 38.02 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.982 1.313 . . . . 0.0 113.276 -171.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.46 -177.51 48.98 Favored Glycine 0 N--CA 1.468 0.809 0 C-N-CA 123.816 0.722 . . . . 0.0 114.199 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.99 -23.7 67.43 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -168.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -104.33 7.22 35.68 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.469 1.108 . . . . 0.0 111.971 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 51.85 58.57 5.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.066 1.746 . . . . 0.0 111.384 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.7 mt -83.04 134.93 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 125.524 1.53 . . . . 0.0 109.336 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -96.91 140.24 31.76 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.35 -8.36 18.05 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -113.05 1.07 15.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.199 1.8 . . . . 0.0 112.65 -176.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -129.39 -41.96 1.35 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -172.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -144.56 -36.64 0.32 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -168.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -108.36 168.25 9.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.287 1.035 . . . . 0.0 112.15 168.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.35 138.6 53.64 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.804 1.241 . . . . 0.0 112.552 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -84.43 -15.2 47.02 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.34 -166.65 29.74 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.111 0.862 . . . . 0.0 112.989 -172.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.38 7.09 8.56 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -156.48 145.0 14.58 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.83 1.652 . . . . 0.0 110.363 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.71 160.43 48.21 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.589 2.859 . . . . 0.0 111.634 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.72 70.89 0.03 OUTLIER Glycine 0 N--CA 1.471 0.975 0 O-C-N 121.948 -0.47 . . . . 0.0 114.049 -174.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -151.48 -178.34 6.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 127.593 2.357 . . . . 0.0 110.0 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -59.9 -31.81 70.16 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.841 0.856 . . . . 0.0 112.971 174.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.3 m -93.84 -1.58 54.67 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 52.87 52.2 14.4 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.996 1.719 . . . . 0.0 112.685 170.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.49 146.48 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.624 1.17 . . . . 0.0 111.119 -171.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -101.35 135.0 43.56 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.11 1.764 . . . . 0.0 110.696 -174.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.8 m -48.82 -38.62 22.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.432 1.493 . . . . 0.0 114.348 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -77.16 -24.42 51.51 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.457 -0.777 . . . . 0.0 112.813 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.6 -11.15 60.53 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.722 -1.236 . . . . 0.0 112.211 170.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.4 mt -82.4 -9.82 59.3 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.099 -1.001 . . . . 0.0 112.587 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.0 mt -97.22 8.78 43.85 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.608 1.563 . . . . 0.0 112.62 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.5 p -69.13 162.8 26.23 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.125 1.77 . . . . 0.0 112.365 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -77.01 -1.68 30.06 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -120.89 127.79 52.2 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.235 1.814 . . . . 0.0 107.632 167.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.3 pt -68.8 -12.58 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 125.27 1.428 . . . . 0.0 113.446 -174.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.7 t -51.8 -39.37 58.57 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.982 1.713 . . . . 0.0 114.797 -169.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -64.2 -29.81 70.9 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.275 -0.891 . . . . 0.0 112.839 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.3 -41.97 15.05 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.389 1.075 . . . . 0.0 111.491 172.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.46 98.78 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.368 1.067 . . . . 0.0 113.106 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.37 -35.56 81.34 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.066 -1.022 . . . . 0.0 112.613 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 43.3 t -68.72 -39.98 80.17 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.489 0.715 . . . . 0.0 111.183 171.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.3 -37.12 76.9 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.056 0.942 . . . . 0.0 113.001 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -61.77 -44.02 97.7 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.143 1.338 . . . . 0.0 112.588 170.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -68.38 -24.97 64.84 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.314 -0.866 . . . . 0.0 112.836 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 96.2 mt -71.77 -48.11 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.416 -0.802 . . . . 0.0 110.231 168.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.5 -30.72 63.33 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.64 1.176 . . . . 0.0 113.371 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -57.51 -19.25 23.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.936 2.094 . . . . 0.0 115.502 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -115.86 -37.79 3.82 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.852 1.661 . . . . 0.0 111.872 174.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -145.6 91.86 2.16 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.189 1.796 . . . . 0.0 110.372 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -51.41 -41.73 60.96 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -170.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -142.03 -11.21 0.87 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.216 1.406 . . . . 0.0 113.242 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.83 -13.34 61.27 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.845 1.258 . . . . 0.0 113.915 -172.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.46 -7.21 41.6 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.439 1.096 . . . . 0.0 113.668 172.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.6 m-90 -128.71 123.01 31.97 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.438 1.495 . . . . 0.0 111.37 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -74.25 -35.24 63.81 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -167.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.86 -25.5 74.18 Favored Glycine 0 N--CA 1.473 1.111 0 O-C-N 121.483 -0.76 . . . . 0.0 113.476 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -67.43 -44.97 77.43 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.437 1.119 . . . . 0.0 111.194 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -80.91 -15.81 55.29 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -98.37 -32.79 11.33 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -127.31 -33.31 2.38 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.1 m -84.26 0.95 46.99 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -76.43 -32.41 58.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.854 0.861 . . . . 0.0 112.792 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.5 -30.35 19.12 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 123.739 0.685 . . . . 0.0 114.032 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.8 m -153.56 132.45 12.43 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.278 1.431 . . . . 0.0 111.206 -174.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.2 mt -121.06 150.57 53.69 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.778 1.631 . . . . 0.0 110.778 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -71.85 153.96 58.59 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.608 2.872 . . . . 0.0 111.271 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -77.41 142.1 39.43 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.896 0.879 . . . . 0.0 111.403 170.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 44.8 pt -129.86 -1.71 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.33 1.852 . . . . 0.0 113.07 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.3 p -68.16 -10.65 55.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 p -86.33 -10.66 54.0 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.964 1.706 . . . . 0.0 114.083 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.251 1.14 0 C-N-CA 126.017 1.727 . . . . 0.0 112.142 -176.302 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.051 0 N-CA-C 111.996 -0.441 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -155.23 164.21 39.11 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.745 1.618 . . . . 0.0 112.62 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -107.36 132.7 52.86 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.727 1.211 . . . . 0.0 110.696 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -97.79 157.45 16.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.17 1.788 . . . . 0.0 110.748 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.7 t -96.87 159.87 14.67 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.011 1.324 . . . . 0.0 108.652 168.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -55.8 -45.9 78.14 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.502 1.046 . . . . 0.0 112.014 -175.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m -61.34 -35.09 76.45 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.31 42.48 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 124.162 0.887 . . . . 0.0 111.579 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.69 -49.02 76.76 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.105 1.362 . . . . 0.0 112.067 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.9 t -49.98 -45.86 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.764 0.826 . . . . 0.0 110.444 173.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -69.24 -41.31 77.14 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.885 0.874 . . . . 0.0 113.228 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.39 -42.22 98.8 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.279 1.032 . . . . 0.0 111.148 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.3 mt -72.07 -37.79 69.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.867 0.867 . . . . 0.0 111.965 176.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.61 -41.24 85.41 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.805 -0.559 . . . . 0.0 112.005 172.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -67.89 -35.01 77.76 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.617 0.767 . . . . 0.0 112.578 172.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -86.8 2.93 47.21 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.41 34.98 7.16 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 124.436 1.017 . . . . 0.0 114.415 170.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -91.13 154.59 19.25 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.229 1.012 . . . . 0.0 111.599 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -76.36 121.46 23.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.412 1.485 . . . . 0.0 110.295 -171.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.17 -27.63 69.1 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -81.45 -12.92 58.74 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.294 1.038 . . . . 0.0 113.726 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 mt -106.89 -3.37 20.34 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.575 1.15 . . . . 0.0 113.013 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.5 tpp -53.1 -41.22 64.77 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.879 1.218 . . . . 0.0 112.504 -174.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -55.71 -49.44 73.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.476 1.11 . . . . 0.0 112.345 172.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -60.49 -46.87 88.52 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.527 1.131 . . . . 0.0 110.691 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -64.7 -49.7 69.87 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.518 1.127 . . . . 0.0 112.391 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 m -66.17 -33.91 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.154 0.888 . . . . 0.0 111.874 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -70.86 -43.73 67.86 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.603 0.638 . . . . 0.0 112.05 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.14 -53.8 45.1 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.317 1.447 . . . . 0.0 110.337 169.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.3 t -61.58 -41.28 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.759 0.823 . . . . 0.0 111.927 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -62.61 -35.41 79.47 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -86.79 -19.76 28.56 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -85.39 -60.91 1.89 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.92 0.888 . . . . 0.0 111.814 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.1 p -113.31 -9.56 13.39 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -171.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m 67.07 23.05 9.77 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.367 1.467 . . . . 0.0 112.993 -169.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 72.22 26.77 2.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.668 1.587 . . . . 0.0 112.148 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -118.4 118.64 32.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.31 1.444 . . . . 0.0 111.167 -175.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.0 p -68.17 -26.08 65.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 119.151 -0.452 . . . . 0.0 112.122 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.9 m -78.74 -5.79 54.16 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -71.37 144.98 49.67 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.82 -1.175 . . . . 0.0 112.485 -175.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.6 p -142.87 159.94 41.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.592 1.557 . . . . 0.0 112.073 173.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -148.95 137.96 21.44 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.533 1.533 . . . . 0.0 111.036 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 m -94.57 142.24 27.67 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.642 1.177 . . . . 0.0 110.468 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -95.45 157.15 16.02 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.661 1.584 . . . . 0.0 111.669 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.7 mtm105 -61.7 -24.39 66.74 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.376 1.071 . . . . 0.0 113.28 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -84.85 -3.34 58.62 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.429 1.492 . . . . 0.0 114.211 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.37 -2.76 71.38 Favored Glycine 0 N--CA 1.475 1.234 0 C-N-CA 125.128 1.347 . . . . 0.0 115.265 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.1 p -81.78 168.78 17.66 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.746 1.273 . . . . 0.0 111.468 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -134.58 157.62 46.1 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.51 -1.369 . . . . 0.0 111.517 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -109.32 141.57 41.46 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 126.851 2.061 . . . . 0.0 109.597 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.7 148.66 41.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.246 1.018 . . . . 0.0 113.511 -169.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.56 -176.82 52.06 Favored Glycine 0 N--CA 1.468 0.767 0 CA-C-O 121.998 0.776 . . . . 0.0 113.908 172.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -20.7 66.55 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -168.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -107.61 8.16 29.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.662 1.185 . . . . 0.0 111.717 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 51.15 58.67 5.29 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.777 1.631 . . . . 0.0 111.258 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.5 mt -82.86 130.67 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 125.327 1.451 . . . . 0.0 109.472 -171.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.25 134.42 34.91 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.418 0.687 . . . . 0.0 111.95 -170.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.48 -9.02 15.85 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.9 ttp180 -85.13 -16.21 41.24 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.809 2.044 . . . . 0.0 113.398 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -136.9 -48.59 0.61 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -168.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -113.08 -50.02 2.89 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -167.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 p -101.19 166.18 10.91 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.235 1.414 . . . . 0.0 113.073 173.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.4 t -110.99 130.94 55.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.478 1.511 . . . . 0.0 111.982 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -81.62 -14.09 57.15 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.19 -167.34 33.37 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.178 0.894 . . . . 0.0 112.571 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.21 7.66 6.03 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.5 t -156.51 142.29 12.79 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 125.263 1.425 . . . . 0.0 110.862 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -65.51 147.49 86.81 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.377 2.718 . . . . 0.0 110.571 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.64 43.64 0.03 OUTLIER Glycine 0 N--CA 1.473 1.116 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 -171.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -132.42 -169.64 2.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.986 1.314 . . . . 0.0 110.451 168.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.3 -25.54 61.96 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -168.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.7 m -103.29 4.68 36.81 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.8 m120 58.98 43.52 17.68 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.509 1.524 . . . . 0.0 112.799 168.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.8 p -147.35 147.47 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.4 1.48 . . . . 0.0 110.458 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -97.85 134.64 40.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.281 1.432 . . . . 0.0 110.538 -176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 81.8 m -49.64 -36.57 25.06 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.412 1.485 . . . . 0.0 113.943 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.1 t -70.62 -29.2 65.51 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -71.89 -18.9 62.01 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.765 -1.209 . . . . 0.0 112.162 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.3 mt -74.74 -14.29 60.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.855 0.862 . . . . 0.0 112.464 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt -94.6 8.56 41.9 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.787 1.635 . . . . 0.0 112.819 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.1 p -76.69 177.41 7.57 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.466 1.506 . . . . 0.0 111.996 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -88.5 9.42 23.8 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.725 1.21 . . . . 0.0 113.702 -174.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -132.09 125.41 31.28 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.971 1.709 . . . . 0.0 108.322 169.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.2 pt -66.76 -14.4 17.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.769 1.228 . . . . 0.0 113.137 -174.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.8 t -53.12 -36.35 60.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.283 1.833 . . . . 0.0 114.623 -169.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -62.48 -32.88 73.85 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.61 -0.682 . . . . 0.0 112.19 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.13 -39.82 15.19 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.701 1.2 . . . . 0.0 111.53 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.4 -40.85 85.64 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.174 0.99 . . . . 0.0 113.393 -175.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -70.21 -33.38 71.63 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.036 -1.04 . . . . 0.0 112.538 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 30.4 t -66.3 -39.46 89.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.852 0.861 . . . . 0.0 111.129 171.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.72 83.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.52 1.128 . . . . 0.0 112.932 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -61.4 -42.94 99.53 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.27 1.395 . . . . 0.0 112.232 171.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -67.63 -22.3 65.34 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 94.2 mt -77.78 -46.86 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.443 -0.786 . . . . 0.0 110.483 168.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -28.41 62.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.696 1.198 . . . . 0.0 113.607 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -57.23 -23.31 47.15 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.84 1.656 . . . . 0.0 114.693 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -113.62 -37.53 4.57 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.919 1.688 . . . . 0.0 111.901 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -144.92 88.25 1.89 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.184 1.794 . . . . 0.0 110.53 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -53.79 -39.47 65.47 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -170.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -139.93 -14.49 1.05 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.11 1.364 . . . . 0.0 113.251 173.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.66 -14.34 62.43 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -173.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.28 -9.07 58.32 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 170.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -131.82 110.81 11.1 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.766 1.227 . . . . 0.0 113.036 -174.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -30.65 65.18 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.403 1.481 . . . . 0.0 112.488 171.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -56.81 -21.36 36.42 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.334 1.445 . . . . 0.0 112.953 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -93.45 -63.0 1.26 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 117.895 0.848 . . . . 0.0 111.102 167.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -65.2 -19.34 65.93 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -169.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -99.12 -4.03 33.2 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -135.64 -28.28 1.12 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -171.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 70.9 m -89.64 6.23 42.22 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.176 1.39 . . . . 0.0 114.054 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -74.22 -25.53 59.71 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.484 1.113 . . . . 0.0 112.855 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.16 -53.35 2.84 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 124.209 0.909 . . . . 0.0 112.615 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.7 t -169.16 170.14 8.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.854 1.662 . . . . 0.0 111.219 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 80.9 mt -120.86 154.28 57.52 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 126.368 1.867 . . . . 0.0 112.11 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -67.87 156.08 67.31 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.844 3.029 . . . . 0.0 111.551 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -81.32 152.31 27.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.431 1.093 . . . . 0.0 112.56 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.8 pt -133.33 -4.13 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.869 2.067 . . . . 0.0 113.346 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.1 m -69.62 -8.81 50.74 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.653 -1.279 . . . . 0.0 114.107 -174.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.7 p -86.22 -9.16 57.07 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.945 1.698 . . . . 0.0 113.952 170.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.034 1.733 . . . . 0.0 112.472 -173.296 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.104 0 N-CA-C 111.869 -0.492 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -156.08 165.31 36.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.876 1.671 . . . . 0.0 112.319 -170.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 m -111.76 126.29 54.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.423 1.089 . . . . 0.0 110.128 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -89.64 157.22 18.11 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.5 1.52 . . . . 0.0 110.878 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 t -95.3 161.92 13.89 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.966 1.306 . . . . 0.0 108.702 168.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -56.54 -49.48 74.67 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.314 0.961 . . . . 0.0 112.101 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -60.66 -38.22 84.16 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.657 -0.652 . . . . 0.0 112.512 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.69 -46.83 88.73 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 123.983 0.801 . . . . 0.0 111.687 174.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.58 -49.24 76.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.018 1.327 . . . . 0.0 111.931 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -49.43 -46.6 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.99 0.916 . . . . 0.0 110.422 173.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -69.08 -40.82 78.21 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.932 0.893 . . . . 0.0 113.085 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.12 -42.51 96.81 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.388 1.075 . . . . 0.0 110.889 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.96 -37.67 69.89 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.249 1.019 . . . . 0.0 112.29 176.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -57.7 -41.51 81.83 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.954 0.501 . . . . 0.0 111.888 172.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.46 -33.87 76.03 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.544 0.737 . . . . 0.0 112.606 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -87.56 4.65 42.82 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.963 1.305 . . . . 0.0 114.419 -175.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.83 21.63 27.93 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.639 1.114 . . . . 0.0 115.025 169.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -83.91 139.87 32.33 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.447 1.123 . . . . 0.0 109.831 173.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -75.88 137.1 40.2 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.36 0.664 . . . . 0.0 111.888 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.32 -27.77 68.73 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -80.99 -15.97 54.72 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 175.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.4 mt -98.76 -13.9 19.98 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.776 1.231 . . . . 0.0 112.489 173.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -51.51 -41.82 61.27 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.282 1.433 . . . . 0.0 113.014 -173.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -55.78 -49.86 72.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.742 0.817 . . . . 0.0 112.11 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -61.82 -45.52 93.46 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.878 0.871 . . . . 0.0 110.523 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -64.47 -49.92 69.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.483 0.713 . . . . 0.0 112.737 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 m -66.68 -35.49 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.313 0.96 . . . . 0.0 111.706 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.8 -41.42 71.62 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.754 0.706 . . . . 0.0 111.833 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -55.61 -54.28 46.03 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.099 1.36 . . . . 0.0 110.006 170.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.99 -39.99 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.359 0.664 . . . . 0.0 111.866 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -64.81 -31.59 72.89 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -92.31 -15.17 27.73 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -87.66 -67.69 0.81 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.858 1.263 . . . . 0.0 111.408 173.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.3 p -107.17 -12.61 15.35 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.6 m 65.22 33.89 8.91 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.08 1.352 . . . . 0.0 112.998 -169.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.3 mtm-85 71.66 27.15 2.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.877 1.671 . . . . 0.0 112.496 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -118.45 115.11 23.96 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.426 1.49 . . . . 0.0 111.617 -173.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -71.16 -24.28 62.22 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.4 m -77.53 -2.06 33.67 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.545 1.066 . . . . 0.0 113.222 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.93 142.73 38.19 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.618 1.167 . . . . 0.0 113.016 -172.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 p -145.96 154.0 41.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.998 2.119 . . . . 0.0 111.004 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -150.82 123.87 8.76 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.455 0.702 . . . . 0.0 111.656 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.6 m -86.21 144.64 27.35 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.058 1.343 . . . . 0.0 110.142 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -118.03 159.83 22.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.558 1.543 . . . . 0.0 111.741 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -62.87 -23.41 67.3 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.438 1.095 . . . . 0.0 113.725 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -77.51 -7.85 56.89 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.26 1.424 . . . . 0.0 113.733 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.51 1.73 74.13 Favored Glycine 0 N--CA 1.475 1.236 0 C-N-CA 125.628 1.585 . . . . 0.0 114.728 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 p -88.27 163.04 16.29 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.171 1.388 . . . . 0.0 111.859 171.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -124.84 147.15 48.91 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.869 1.268 . . . . 0.0 110.95 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.61 149.21 21.7 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.828 1.651 . . . . 0.0 110.666 171.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -143.03 144.84 32.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.667 1.587 . . . . 0.0 112.836 -171.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.29 -176.31 53.5 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-O 122.196 0.886 . . . . 0.0 114.91 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.09 -27.25 69.26 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -168.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -103.09 11.03 37.66 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.097 0.959 . . . . 0.0 111.62 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 54.63 53.01 11.23 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.18 1.392 . . . . 0.0 110.58 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.6 mt -86.46 131.33 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.052 1.341 . . . . 0.0 110.003 -170.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -96.04 140.39 30.84 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -63.04 -10.17 13.08 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 -176.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -110.02 1.12 18.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.03 1.732 . . . . 0.0 112.766 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -130.19 -42.73 1.2 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -171.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -144.58 -36.76 0.31 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -168.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.0 p -109.38 168.02 9.69 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.433 1.093 . . . . 0.0 111.418 168.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.39 138.96 52.74 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.624 1.169 . . . . 0.0 112.399 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -91.54 -10.2 41.54 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.486 1.661 . . . . 0.0 115.486 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.68 -156.5 9.59 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 123.661 0.648 . . . . 0.0 113.534 -169.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.45 1.46 22.13 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -159.98 156.75 24.47 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 126.31 1.844 . . . . 0.0 111.235 -176.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -68.29 161.66 43.72 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.587 2.858 . . . . 0.0 110.74 169.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 163.52 73.95 0.03 OUTLIER Glycine 0 N--CA 1.473 1.105 0 O-C-N 121.994 -0.441 . . . . 0.0 114.121 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -153.58 -177.86 6.64 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.569 2.348 . . . . 0.0 110.363 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.39 -35.64 63.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.363 1.065 . . . . 0.0 112.808 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 63.7 m -97.24 -0.07 47.35 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 53.54 49.89 18.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.601 1.56 . . . . 0.0 113.048 169.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.4 p -147.78 143.9 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.599 1.16 . . . . 0.0 111.412 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -96.94 135.8 38.41 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.569 1.547 . . . . 0.0 111.307 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 72.6 m -48.41 -37.45 17.04 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.101 1.76 . . . . 0.0 114.308 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -70.24 -32.5 70.38 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.7 -16.27 63.31 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.763 -1.211 . . . . 0.0 112.923 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.0 mt -77.26 -13.29 59.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.057 0.943 . . . . 0.0 112.554 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.3 mt -96.24 5.75 50.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.452 1.501 . . . . 0.0 113.343 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -78.33 179.06 7.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.169 1.388 . . . . 0.0 111.823 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -85.83 16.23 4.23 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.853 1.261 . . . . 0.0 113.144 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.56 123.16 13.26 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.237 2.215 . . . . 0.0 109.715 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.3 pt -78.02 -13.34 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -169.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -26.88 68.78 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -166.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -65.06 -32.28 73.92 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.016 -1.052 . . . . 0.0 112.113 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.04 -39.25 18.23 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.259 1.023 . . . . 0.0 111.281 174.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.19 77.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.968 0.907 . . . . 0.0 113.095 -176.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -67.07 -35.37 79.69 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.977 -1.077 . . . . 0.0 112.428 173.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.8 t -65.1 -40.77 95.02 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.794 0.837 . . . . 0.0 110.744 172.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.11 -35.93 76.32 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.237 1.015 . . . . 0.0 112.798 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -64.82 -43.24 93.76 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.217 1.371 . . . . 0.0 112.625 172.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -68.47 -22.79 64.54 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.321 -0.862 . . . . 0.0 112.853 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 93.6 mt -74.26 -47.3 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 121.305 -0.872 . . . . 0.0 109.913 167.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -28.88 63.4 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.675 1.19 . . . . 0.0 113.995 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -56.29 -26.11 50.75 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.294 1.438 . . . . 0.0 114.559 169.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -112.48 -32.74 6.38 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.162 1.785 . . . . 0.0 112.629 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -148.45 81.38 1.46 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.083 2.153 . . . . 0.0 110.039 -173.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -38.66 42.79 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -168.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -141.6 -1.86 1.26 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.667 1.187 . . . . 0.0 113.063 169.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.63 -18.17 57.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.225 1.81 . . . . 0.0 114.492 -168.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.91 -3.87 37.8 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.779 1.232 . . . . 0.0 113.708 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -123.85 147.91 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.018 1.727 . . . . 0.0 111.703 -176.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -89.85 -39.8 12.84 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.643 0.777 . . . . 0.0 113.049 -171.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.39 -29.81 75.67 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 124.059 0.838 . . . . 0.0 113.053 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -64.1 -43.96 93.77 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 117.879 0.839 . . . . 0.0 113.007 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -89.62 -16.5 30.38 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -98.32 -22.5 16.08 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -133.23 -45.86 0.84 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 30.2 m -70.55 -7.7 45.78 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -172.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -73.64 -22.54 59.95 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.982 0.913 . . . . 0.0 112.696 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.54 -35.74 16.07 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 123.741 0.686 . . . . 0.0 113.552 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 t -170.98 150.04 3.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.805 1.642 . . . . 0.0 111.116 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.9 mt -119.5 149.18 47.34 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 125.755 1.622 . . . . 0.0 110.96 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -74.69 166.76 28.62 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.911 3.074 . . . . 0.0 111.621 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -77.31 147.81 36.01 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.756 0.822 . . . . 0.0 112.719 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 49.7 pt -127.79 -6.05 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.515 1.526 . . . . 0.0 113.483 169.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.5 m -69.93 -21.5 63.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.012 1.278 . . . . 0.0 112.645 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.7 t -80.95 -4.52 55.27 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.442 1.097 . . . . 0.0 113.358 169.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 C--O 1.249 1.065 0 C-N-CA 125.473 1.509 . . . . 0.0 112.43 -176.258 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.046 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -154.61 164.17 39.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.078 1.751 . . . . 0.0 112.546 -172.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 m -112.99 131.57 55.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.71 1.204 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -95.6 160.61 14.42 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.712 1.605 . . . . 0.0 111.482 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -102.79 161.63 13.58 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.487 1.515 . . . . 0.0 107.857 166.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -57.54 -44.12 84.93 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.163 0.892 . . . . 0.0 111.925 -174.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.68 -26.63 68.75 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.92 -49.26 6.53 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.499 1.047 . . . . 0.0 111.197 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.47 -46.59 89.4 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.663 1.185 . . . . 0.0 112.355 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.3 t -51.7 -44.28 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.251 0.932 . . . . 0.0 110.717 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -70.99 -42.49 69.6 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.148 0.979 . . . . 0.0 112.912 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.25 -41.38 96.81 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.016 1.326 . . . . 0.0 111.134 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -75.29 -40.77 58.34 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.052 0.941 . . . . 0.0 112.252 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -54.99 -41.96 71.87 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.512 0.596 . . . . 0.0 111.589 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -68.59 -38.24 80.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.736 1.614 . . . . 0.0 112.738 174.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -83.49 0.01 48.26 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.07 40.73 3.68 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 124.716 1.151 . . . . 0.0 114.559 171.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -106.43 140.04 39.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.163 1.385 . . . . 0.0 109.624 173.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -77.18 137.61 38.97 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.256 0.623 . . . . 0.0 112.092 -172.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.4 -26.83 68.11 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -82.55 -15.16 53.32 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.1 mt -100.11 -13.05 19.15 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.937 1.295 . . . . 0.0 112.417 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.5 tpp -52.34 -43.74 64.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.372 1.469 . . . . 0.0 113.101 -173.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -55.18 -49.35 72.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.113 0.965 . . . . 0.0 112.221 174.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.04 -45.12 96.07 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.817 0.847 . . . . 0.0 110.779 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -66.11 -48.98 69.13 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.848 0.859 . . . . 0.0 112.777 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 m -66.29 -34.36 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.486 1.039 . . . . 0.0 111.747 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.6 t -70.01 -43.12 72.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.459 0.572 . . . . 0.0 111.831 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -54.42 -55.22 30.97 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.162 1.385 . . . . 0.0 110.245 169.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.4 t -61.58 -41.15 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.873 0.869 . . . . 0.0 112.391 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -63.1 -41.86 99.47 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.331 0.514 . . . . 0.0 112.164 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -81.58 -19.11 42.63 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -85.61 -56.95 3.26 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.067 0.947 . . . . 0.0 111.899 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 m -124.79 -0.95 7.94 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -169.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m 65.61 21.22 11.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.644 1.578 . . . . 0.0 113.183 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 63.9 28.47 14.57 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.98 1.712 . . . . 0.0 113.252 -171.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -110.93 118.83 37.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.162 1.385 . . . . 0.0 110.3 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.1 p -68.51 -26.57 65.51 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 119.171 -0.442 . . . . 0.0 111.99 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.9 m -77.93 -3.97 44.51 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -73.35 142.36 47.06 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.958 -1.089 . . . . 0.0 113.023 -173.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.5 p -145.21 155.4 43.23 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.14 1.776 . . . . 0.0 111.965 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -148.0 130.97 16.22 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.036 1.334 . . . . 0.0 111.319 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.9 m -87.89 144.3 26.65 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.907 1.283 . . . . 0.0 110.174 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -108.49 157.95 17.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.111 1.364 . . . . 0.0 111.533 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.77 -23.83 66.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.459 1.104 . . . . 0.0 113.311 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -68.83 -18.55 64.19 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.705 1.602 . . . . 0.0 114.136 173.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.32 -1.78 70.2 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.223 1.392 . . . . 0.0 114.267 -175.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.4 p -85.79 158.93 19.87 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.131 1.372 . . . . 0.0 111.21 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -126.37 152.46 46.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.685 1.194 . . . . 0.0 111.102 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -101.25 145.01 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 126.711 2.004 . . . . 0.0 109.946 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -143.64 150.23 38.45 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.019 1.327 . . . . 0.0 113.233 -172.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.98 -177.95 47.26 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 121.634 -0.666 . . . . 0.0 113.859 172.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.94 -13.85 60.5 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 -169.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -114.77 14.12 17.39 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.864 1.265 . . . . 0.0 111.388 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 45.23 58.94 3.78 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.275 1.83 . . . . 0.0 111.784 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mt -83.74 130.3 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.937 1.295 . . . . 0.0 110.074 -171.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -91.31 138.35 31.65 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -66.61 -10.41 45.45 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -83.93 -18.59 36.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.327 1.051 . . . . 0.0 113.146 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -132.64 -58.25 0.93 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -167.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -100.73 -52.22 3.38 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.737 0.815 . . . . 0.0 112.899 -167.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -101.38 162.7 12.71 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.313 1.445 . . . . 0.0 111.744 169.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.9 t -110.27 137.33 48.15 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.868 1.667 . . . . 0.0 112.685 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -10.94 59.76 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 176.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.18 -167.9 21.85 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.07 0.843 . . . . 0.0 113.453 -171.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.72 -9.72 59.69 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.5 m -140.31 152.12 66.08 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.418 1.887 . . . . 0.0 110.779 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -68.6 154.31 71.78 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.425 2.75 . . . . 0.0 110.875 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.34 41.16 0.02 OUTLIER Glycine 0 N--CA 1.475 1.264 0 N-CA-C 116.03 1.172 . . . . 0.0 116.03 -174.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -128.54 -173.3 2.92 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.331 1.853 . . . . 0.0 110.305 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.44 -26.44 61.18 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -169.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 63.3 m -106.16 7.1 31.46 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.571 1.149 . . . . 0.0 113.906 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.25 48.84 16.44 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.867 1.667 . . . . 0.0 112.521 172.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -151.06 152.67 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.409 1.484 . . . . 0.0 110.518 -171.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -106.58 136.4 46.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.135 1.774 . . . . 0.0 110.97 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.1 m -50.93 -36.64 39.58 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.174 1.389 . . . . 0.0 114.057 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -71.53 -32.01 67.69 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -71.17 -16.06 62.51 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.809 -1.182 . . . . 0.0 112.605 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.89 -13.92 60.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.386 0.675 . . . . 0.0 112.74 173.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.9 mt -94.97 8.84 41.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.361 1.464 . . . . 0.0 112.854 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.5 p -75.92 177.84 6.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.884 1.674 . . . . 0.0 112.131 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -90.66 12.19 19.76 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.927 1.291 . . . . 0.0 113.738 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -134.84 125.7 27.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.043 1.737 . . . . 0.0 108.295 169.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 pt -67.65 -13.67 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.485 1.114 . . . . 0.0 113.163 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -53.79 -35.66 61.6 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.086 1.754 . . . . 0.0 114.277 -170.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.12 -34.13 75.77 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.599 -0.688 . . . . 0.0 112.195 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.04 -39.9 15.2 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.913 1.285 . . . . 0.0 111.587 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.92 91.79 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.365 1.066 . . . . 0.0 113.217 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.99 -33.45 74.66 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.867 -1.145 . . . . 0.0 112.497 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 39.0 t -68.51 -36.42 78.85 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.057 0.943 . . . . 0.0 111.409 171.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.95 89.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.155 0.982 . . . . 0.0 112.663 170.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.1 -42.15 98.93 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.223 1.374 . . . . 0.0 112.252 171.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -65.38 -23.23 66.92 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.816 0.846 . . . . 0.0 113.107 177.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.6 mt -79.02 -47.34 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.882 0.873 . . . . 0.0 110.622 168.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -26.23 58.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.997 1.319 . . . . 0.0 113.725 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -58.23 -16.28 13.24 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.275 1.83 . . . . 0.0 115.152 169.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.8 mmt-85 -128.77 -31.69 2.17 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.595 1.558 . . . . 0.0 112.938 175.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.07 84.05 1.95 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.816 1.646 . . . . 0.0 110.494 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.56 -39.98 50.86 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -169.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -143.44 -6.53 0.8 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.601 1.56 . . . . 0.0 113.106 171.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -79.99 -12.66 59.69 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -169.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.03 -5.04 36.25 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.004 0.922 . . . . 0.0 113.304 171.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -128.1 143.62 51.07 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.773 1.629 . . . . 0.0 112.329 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -90.09 -30.95 17.35 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.79 1.236 . . . . 0.0 112.616 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.85 -18.99 60.41 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 125.317 1.437 . . . . 0.0 113.579 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -79.75 -70.65 0.5 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 117.964 0.882 . . . . 0.0 110.858 168.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -63.56 -22.61 66.99 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -82.16 -7.89 59.63 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -138.72 -44.55 0.48 Allowed 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -174.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.9 m -69.52 -19.18 63.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.438 1.495 . . . . 0.0 114.333 -173.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.96 -14.88 58.26 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.936 0.894 . . . . 0.0 112.333 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.59 -50.81 2.09 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.213 1.387 . . . . 0.0 112.072 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.3 t -166.73 152.55 8.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.475 1.11 . . . . 0.0 112.354 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 79.0 mt -117.38 152.74 49.7 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.515 1.526 . . . . 0.0 112.306 175.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -70.64 153.69 64.74 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.821 3.014 . . . . 0.0 110.735 171.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -82.52 149.57 27.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.252 1.025 . . . . 0.0 111.875 171.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.4 pt -132.65 0.21 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.104 2.162 . . . . 0.0 112.802 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 m -64.73 -12.26 45.09 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -172.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.9 p -88.56 -9.62 51.67 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.963 1.705 . . . . 0.0 114.049 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 39.9 m . . . . . 0 C--O 1.251 1.148 0 C-N-CA 125.979 1.712 . . . . 0.0 112.489 -175.51 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.101 0 N-CA-C 111.829 -0.508 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -154.56 161.87 41.42 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.566 1.546 . . . . 0.0 112.626 -170.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 m -112.31 132.42 54.98 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.044 1.338 . . . . 0.0 110.116 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -99.5 156.21 17.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.76 1.624 . . . . 0.0 111.006 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 t -94.93 162.14 13.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.937 1.295 . . . . 0.0 108.596 167.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -56.39 -48.05 77.69 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.342 0.974 . . . . 0.0 111.984 -174.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -61.04 -39.01 88.16 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.554 -0.717 . . . . 0.0 112.775 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.85 -45.66 91.88 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 123.92 0.771 . . . . 0.0 111.64 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.08 -49.21 75.38 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.933 1.293 . . . . 0.0 111.94 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.6 t -49.54 -45.69 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.919 0.888 . . . . 0.0 110.545 174.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -69.78 -41.98 74.38 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.133 0.973 . . . . 0.0 113.471 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -64.93 -37.33 87.29 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.606 1.162 . . . . 0.0 111.364 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.34 -39.16 54.69 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.865 0.866 . . . . 0.0 112.136 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -56.62 -41.27 76.81 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.877 -0.514 . . . . 0.0 111.544 171.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -64.06 -36.24 83.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.572 1.549 . . . . 0.0 112.725 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -91.45 4.53 52.27 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.357 1.463 . . . . 0.0 114.857 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.81 36.56 6.37 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.409 1.004 . . . . 0.0 114.464 171.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -99.89 137.42 38.37 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.902 1.281 . . . . 0.0 109.369 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -76.62 138.69 40.26 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.387 0.675 . . . . 0.0 111.983 -172.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.26 -26.86 68.05 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -82.6 -15.88 50.53 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.9 mt -99.22 -15.46 18.89 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.871 1.268 . . . . 0.0 112.324 173.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.9 tpp -50.85 -44.02 59.37 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.54 1.536 . . . . 0.0 112.999 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -55.21 -48.61 73.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.195 0.998 . . . . 0.0 112.564 174.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.78 -46.14 90.85 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.519 0.727 . . . . 0.0 110.736 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -64.38 -48.89 73.74 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.723 0.809 . . . . 0.0 112.533 -177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 m -67.08 -34.93 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.352 0.978 . . . . 0.0 111.802 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.03 -32.99 67.68 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.787 0.721 . . . . 0.0 112.701 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 tt -65.54 -54.39 28.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.943 1.697 . . . . 0.0 109.868 169.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 t -60.23 -40.11 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.851 0.86 . . . . 0.0 111.868 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -62.86 -28.71 70.22 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -87.15 -30.47 21.02 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.44 1.018 . . . . 0.0 113.49 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -79.89 -57.06 3.83 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.633 0.773 . . . . 0.0 111.421 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.1 p -116.16 -9.12 11.69 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -175.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m 63.67 27.97 14.91 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.854 1.261 . . . . 0.0 112.488 -168.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 70.8 29.85 3.06 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.42 1.488 . . . . 0.0 112.252 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -120.76 116.9 26.14 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.286 1.434 . . . . 0.0 111.649 -175.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -68.15 -26.97 66.04 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 122.199 -0.313 . . . . 0.0 111.629 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.5 m -74.0 -5.19 39.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -75.66 143.49 42.18 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.05 -1.031 . . . . 0.0 113.097 -172.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 p -143.19 153.49 42.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.562 1.945 . . . . 0.0 111.375 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -148.63 127.1 12.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.41 1.484 . . . . 0.0 110.624 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.9 m -96.02 138.72 33.25 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.946 1.298 . . . . 0.0 110.252 -176.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -101.82 159.34 15.42 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.382 1.473 . . . . 0.0 111.894 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -62.91 -24.38 67.82 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.394 1.078 . . . . 0.0 113.128 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -63.43 -28.24 69.84 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.919 1.688 . . . . 0.0 113.949 171.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.7 -11.08 59.31 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.446 1.498 . . . . 0.0 113.484 -169.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -71.47 160.03 33.45 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.618 1.209 . . . . 0.0 111.711 169.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -131.44 149.51 52.5 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.749 1.22 . . . . 0.0 111.064 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -101.03 142.17 32.87 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.326 1.85 . . . . 0.0 110.023 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -139.76 147.01 40.22 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.875 1.27 . . . . 0.0 113.261 -169.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.85 -176.31 53.01 Favored Glycine 0 N--CA 1.468 0.832 0 O-C-N 121.498 -0.751 . . . . 0.0 114.112 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -24.3 67.7 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -168.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -104.06 7.58 36.44 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.434 1.094 . . . . 0.0 111.927 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 50.31 59.38 4.6 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.77 1.628 . . . . 0.0 111.549 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.1 mt -85.08 134.88 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 125.231 1.412 . . . . 0.0 109.537 -173.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -96.58 138.1 34.66 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -169.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -65.36 -12.95 57.05 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -91.34 -16.14 27.95 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.606 1.162 . . . . 0.0 112.868 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -129.29 -33.58 1.91 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 116.896 2.184 . . . . 0.0 116.896 -167.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -137.5 -42.8 0.55 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -168.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.0 p -107.52 167.48 9.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.997 0.919 . . . . 0.0 111.525 168.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.37 137.76 53.52 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.649 1.18 . . . . 0.0 112.581 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 pttm -90.9 -9.24 46.96 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.728 1.751 . . . . 0.0 115.728 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.02 -166.08 20.63 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.204 0.906 . . . . 0.0 112.542 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.59 -3.56 35.02 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.7 m -145.18 152.49 50.94 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 125.989 1.716 . . . . 0.0 110.987 -174.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -69.34 161.18 46.91 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.369 2.712 . . . . 0.0 110.69 170.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.13 72.36 0.03 OUTLIER Glycine 0 N--CA 1.472 1.077 0 O-C-N 121.968 -0.457 . . . . 0.0 113.902 -176.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -153.18 -178.75 7.15 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.363 2.265 . . . . 0.0 110.671 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.93 -25.83 67.05 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.461 1.105 . . . . 0.0 113.333 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 34.2 m -99.67 -3.45 33.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.929 1.292 . . . . 0.0 113.864 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.1 t30 52.51 54.64 10.31 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.223 1.809 . . . . 0.0 113.207 172.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.16 147.52 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.581 1.152 . . . . 0.0 111.557 -172.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -99.77 135.25 41.47 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.044 1.737 . . . . 0.0 110.967 -177.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.7 m -48.67 -38.34 20.95 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.566 1.546 . . . . 0.0 113.397 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -24.55 61.91 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.305 1.842 . . . . 0.0 114.138 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -79.17 -7.41 58.19 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.405 1.002 . . . . 0.0 112.263 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.01 -15.78 37.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.983 0.913 . . . . 0.0 112.191 174.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.4 mt -93.54 4.6 53.69 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.717 1.607 . . . . 0.0 113.514 -177.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 t -84.34 -175.48 5.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.453 1.501 . . . . 0.0 112.013 -174.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -89.56 20.19 4.11 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.06 1.744 . . . . 0.0 113.218 -172.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -150.78 123.83 8.76 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.634 2.374 . . . . 0.0 109.404 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.4 pt -80.22 -13.05 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -169.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -27.14 69.21 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -166.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -63.97 -33.22 75.24 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.121 -0.987 . . . . 0.0 112.121 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.97 -39.71 19.39 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.88 0.872 . . . . 0.0 111.246 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.84 -42.21 86.13 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.42 -35.25 80.38 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.771 -1.206 . . . . 0.0 112.382 174.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.22 -37.27 80.66 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.917 0.887 . . . . 0.0 111.167 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.21 89.49 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.946 0.898 . . . . 0.0 112.513 170.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -62.86 -42.3 99.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.503 1.501 . . . . 0.0 112.523 170.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -63.28 -28.0 69.72 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.901 0.881 . . . . 0.0 112.744 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.31 -45.64 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.771 0.828 . . . . 0.0 111.45 169.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -28.72 62.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.772 1.229 . . . . 0.0 113.407 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -59.33 -22.94 62.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.799 1.64 . . . . 0.0 114.806 169.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -107.29 -42.36 4.86 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.125 1.77 . . . . 0.0 111.312 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -147.97 97.41 2.79 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.387 1.875 . . . . 0.0 110.494 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -53.04 -38.99 62.88 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -170.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -143.6 -18.17 0.61 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.887 1.275 . . . . 0.0 113.588 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.7 -14.83 62.6 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -173.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.19 -9.68 56.49 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.248 1.019 . . . . 0.0 113.716 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -120.21 122.98 42.14 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.34 1.456 . . . . 0.0 111.55 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -71.26 -31.56 67.66 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -171.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.27 -37.06 94.0 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 123.939 0.781 . . . . 0.0 112.688 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -64.34 -45.44 87.83 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.956 0.878 . . . . 0.0 112.623 177.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -77.46 -10.22 59.34 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -91.98 -35.52 13.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.88 1.272 . . . . 0.0 113.693 174.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 -27.46 1.22 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -169.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.46 -8.24 55.63 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.754 -1.216 . . . . 0.0 113.677 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -77.66 -22.54 50.45 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.447 1.099 . . . . 0.0 112.679 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.23 -35.47 7.53 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.125 0.869 . . . . 0.0 113.94 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 m -170.76 153.74 4.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.788 2.035 . . . . 0.0 111.082 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 89.2 mt -121.34 151.69 56.51 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.769 1.628 . . . . 0.0 111.123 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -72.02 152.13 56.73 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.82 3.013 . . . . 0.0 110.693 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -78.56 148.05 33.51 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 122.123 0.963 . . . . 0.0 111.611 170.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.6 pt -131.12 0.05 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.941 2.096 . . . . 0.0 112.715 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.0 m -64.42 -13.35 50.78 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -173.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.4 p -88.74 -10.25 49.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.994 1.718 . . . . 0.0 114.02 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.7 m . . . . . 0 C--O 1.254 1.307 0 C-N-CA 126.043 1.737 . . . . 0.0 112.317 -175.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 N-CA-C 112.371 -0.292 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -160.14 164.13 33.19 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.704 2.002 . . . . 0.0 112.288 -172.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.5 m -119.89 134.47 55.23 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.826 1.25 . . . . 0.0 110.708 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -101.59 160.68 14.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.626 1.57 . . . . 0.0 111.853 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t -104.67 161.93 13.72 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.919 1.688 . . . . 0.0 108.191 167.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -57.14 -48.81 77.77 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.236 0.925 . . . . 0.0 112.36 -171.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.8 p -63.96 -28.33 69.74 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.07 -48.63 31.45 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.176 0.893 . . . . 0.0 111.226 172.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.16 -47.72 83.27 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.605 1.162 . . . . 0.0 112.271 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -49.48 -45.73 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.217 0.917 . . . . 0.0 110.564 174.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -70.26 -41.73 73.08 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.062 0.945 . . . . 0.0 113.302 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.08 -40.48 95.96 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.514 1.126 . . . . 0.0 111.448 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.37 -38.4 63.18 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.217 1.007 . . . . 0.0 112.143 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -58.27 -39.69 79.89 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.401 0.546 . . . . 0.0 112.095 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -68.26 -29.68 68.53 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.789 0.836 . . . . 0.0 112.89 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -94.46 4.69 53.53 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.2 1.4 . . . . 0.0 114.51 -175.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.99 35.76 6.62 Favored Glycine 0 N--CA 1.472 1.094 0 C-N-CA 124.29 0.948 . . . . 0.0 114.394 171.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -100.09 137.79 38.05 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.844 1.258 . . . . 0.0 109.581 173.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -77.58 138.76 39.33 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.384 0.674 . . . . 0.0 111.897 -172.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.19 -26.92 68.05 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -82.48 -16.04 50.27 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.0 mt -99.39 -14.45 19.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.879 1.272 . . . . 0.0 112.407 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -51.43 -43.3 62.0 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.465 1.506 . . . . 0.0 113.034 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -55.03 -50.14 69.79 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.221 1.008 . . . . 0.0 112.521 173.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -60.31 -44.79 95.12 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.651 0.781 . . . . 0.0 110.707 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -66.91 -48.65 68.03 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.874 0.869 . . . . 0.0 112.969 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 m -66.09 -34.21 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.369 0.986 . . . . 0.0 111.683 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.5 t -70.45 -43.63 69.45 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.518 0.599 . . . . 0.0 111.871 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.16 -55.37 24.67 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.376 1.471 . . . . 0.0 110.304 169.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -62.07 -42.41 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.72 0.808 . . . . 0.0 112.087 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -62.97 -38.03 89.46 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -83.9 -17.48 40.62 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -87.08 -56.9 3.17 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.123 0.969 . . . . 0.0 112.158 174.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.1 p -117.86 -9.77 10.58 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -173.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 m 67.98 24.01 8.05 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.7 1.6 . . . . 0.0 112.356 -168.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 66.59 33.9 6.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.113 1.765 . . . . 0.0 112.406 -174.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -116.78 115.59 25.88 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.515 1.126 . . . . 0.0 110.896 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.7 p -67.53 -28.04 67.47 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 122.447 -0.158 . . . . 0.0 111.017 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.7 m -73.1 -5.87 41.93 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -75.65 143.57 42.15 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.991 -1.068 . . . . 0.0 113.244 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 p -146.99 152.67 39.0 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.435 1.894 . . . . 0.0 111.405 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -150.54 125.1 9.63 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.328 1.451 . . . . 0.0 111.224 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.0 m -87.38 140.04 29.94 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.939 1.296 . . . . 0.0 110.054 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -104.27 161.48 14.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.875 1.27 . . . . 0.0 112.625 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -64.69 -23.08 67.14 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.429 1.092 . . . . 0.0 113.247 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -85.57 5.51 31.3 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.731 1.612 . . . . 0.0 113.481 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.82 -1.71 88.41 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 125.715 1.626 . . . . 0.0 115.486 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.0 p -82.3 170.86 14.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.729 1.212 . . . . 0.0 111.84 170.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -134.09 147.97 50.95 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.472 1.109 . . . . 0.0 110.903 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -101.66 143.01 32.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.292 1.837 . . . . 0.0 109.969 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -140.05 149.51 43.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.306 1.442 . . . . 0.0 112.928 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.54 -176.97 51.89 Favored Glycine 0 N--CA 1.468 0.825 0 O-C-N 121.392 -0.818 . . . . 0.0 114.216 169.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.82 -24.29 67.69 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 -168.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -104.54 7.18 35.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.373 1.069 . . . . 0.0 111.638 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 51.32 60.08 4.13 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.85 1.66 . . . . 0.0 111.385 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.7 mt -87.03 136.94 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 125.538 1.535 . . . . 0.0 110.265 -172.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -93.42 138.88 31.31 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -169.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -67.01 -11.13 56.14 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -99.88 -12.47 19.82 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.755 1.222 . . . . 0.0 112.948 -176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -131.67 -27.31 1.93 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 -167.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -138.78 -55.83 0.61 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.183 0.901 . . . . 0.0 112.118 -168.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -98.36 174.69 6.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.774 1.23 . . . . 0.0 111.231 168.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.23 140.66 51.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.338 1.055 . . . . 0.0 112.737 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -85.12 -12.97 51.68 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -171.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.64 -164.5 19.4 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.086 0.851 . . . . 0.0 112.716 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.56 -6.73 54.69 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.5 m -138.67 150.07 64.6 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 125.883 1.673 . . . . 0.0 111.514 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -70.0 158.47 56.53 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.728 2.952 . . . . 0.0 110.741 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.38 37.32 0.02 OUTLIER Glycine 0 N--CA 1.475 1.277 0 N-CA-C 118.502 2.161 . . . . 0.0 118.502 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -127.92 -165.53 1.5 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.824 1.312 . . . . 0.0 111.888 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.4 -21.92 52.21 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -169.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 62.1 m -109.54 3.85 21.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.599 1.16 . . . . 0.0 114.117 176.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.9 m120 58.15 44.93 18.31 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.646 1.578 . . . . 0.0 112.934 169.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.5 p -148.87 153.53 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.365 1.466 . . . . 0.0 110.656 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -103.96 136.05 44.32 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.915 1.686 . . . . 0.0 111.267 -174.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.6 m -51.66 -37.01 48.62 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.254 1.422 . . . . 0.0 113.771 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -74.02 -28.42 61.43 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -18.65 63.76 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.863 -1.148 . . . . 0.0 112.662 174.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.1 -13.45 59.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.033 0.933 . . . . 0.0 112.308 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.2 mt -94.21 8.5 41.5 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.688 1.595 . . . . 0.0 112.995 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.6 p -89.37 -169.82 2.63 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.176 1.39 . . . . 0.0 112.505 -172.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -92.36 2.24 56.76 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.574 1.949 . . . . 0.0 115.101 -171.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -130.42 123.83 30.72 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.317 1.447 . . . . 0.0 109.396 169.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.4 pt -68.32 -13.74 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.493 1.117 . . . . 0.0 113.097 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.9 t -55.21 -30.99 61.07 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.948 1.299 . . . . 0.0 113.89 -171.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -34.05 77.02 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.151 0.887 . . . . 0.0 111.309 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.06 -38.76 14.14 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.998 1.319 . . . . 0.0 111.762 176.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.0 -40.95 74.96 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.67 0.788 . . . . 0.0 113.085 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -71.1 -30.42 66.51 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.798 -1.188 . . . . 0.0 111.759 175.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.3 t -67.77 -37.56 82.26 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.323 1.049 . . . . 0.0 111.264 169.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.7 89.15 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.252 1.021 . . . . 0.0 112.6 171.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.47 -40.82 97.87 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.108 1.322 . . . . 0.0 112.266 170.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -67.98 -24.38 65.13 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.244 1.018 . . . . 0.0 113.249 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.3 mt -75.2 -45.45 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.847 0.859 . . . . 0.0 109.987 168.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -24.7 57.71 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.492 1.517 . . . . 0.0 113.87 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -56.03 -28.83 59.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.476 1.51 . . . . 0.0 114.331 169.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -115.21 -32.38 5.69 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.469 1.508 . . . . 0.0 112.886 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -143.57 83.66 1.77 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.111 1.765 . . . . 0.0 110.551 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -51.67 -40.25 59.69 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -170.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -141.93 -3.54 1.1 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.512 1.525 . . . . 0.0 113.037 169.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.77 -16.93 61.15 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.303 1.841 . . . . 0.0 114.431 -167.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.22 -4.91 55.05 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.819 1.248 . . . . 0.0 113.703 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 -124.66 139.84 53.49 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.036 1.334 . . . . 0.0 113.002 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -87.43 -32.69 19.38 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.471 1.108 . . . . 0.0 112.522 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.29 -20.59 63.28 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.841 1.21 . . . . 0.0 113.111 175.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -80.33 -66.57 0.86 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 117.85 0.825 . . . . 0.0 111.122 168.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -62.87 -25.95 68.54 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -170.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -81.46 -9.91 59.61 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -137.21 -45.96 0.56 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -174.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.0 m -68.69 -19.76 64.39 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.14 1.376 . . . . 0.0 114.355 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -80.99 -13.97 58.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.065 0.946 . . . . 0.0 112.336 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.47 -47.55 1.97 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 125.457 1.504 . . . . 0.0 112.781 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.4 m -165.37 151.4 9.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.533 1.533 . . . . 0.0 112.1 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 81.2 mt -120.64 153.06 56.47 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 125.343 1.457 . . . . 0.0 112.186 174.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.42 155.11 60.44 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.925 3.083 . . . . 0.0 110.769 172.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -83.08 149.13 27.1 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 122.228 1.013 . . . . 0.0 111.784 171.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.92 0.29 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 127.082 2.153 . . . . 0.0 112.7 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.0 m -64.34 -12.68 44.68 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -171.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.4 p -89.56 -8.97 51.54 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.036 1.734 . . . . 0.0 114.117 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.0 m . . . . . 0 C--O 1.252 1.19 0 C-N-CA 126.181 1.792 . . . . 0.0 112.523 -173.847 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 N-CA-C 111.914 -0.475 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -156.76 163.77 38.87 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.801 1.64 . . . . 0.0 112.513 -172.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 m -108.35 131.77 54.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.672 1.189 . . . . 0.0 110.659 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -96.35 155.56 16.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.228 1.811 . . . . 0.0 110.578 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -94.92 159.71 14.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.035 1.334 . . . . 0.0 108.722 168.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.31 -48.72 76.11 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.41 1.005 . . . . 0.0 112.292 -172.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.3 p -64.08 -30.58 71.64 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.15 -45.72 54.53 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.272 0.939 . . . . 0.0 111.391 173.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.1 -49.61 75.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.249 1.419 . . . . 0.0 111.813 174.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.7 t -49.08 -46.32 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.004 0.921 . . . . 0.0 110.52 173.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -69.09 -42.79 75.69 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.84 0.856 . . . . 0.0 113.24 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.19 -40.14 96.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.283 1.033 . . . . 0.0 111.322 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -73.24 -38.31 66.07 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 121.259 -0.901 . . . . 0.0 112.116 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -57.97 -40.03 79.62 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.839 -0.538 . . . . 0.0 111.856 171.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -66.96 -37.25 83.93 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.999 0.92 . . . . 0.0 112.38 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -87.5 4.58 42.89 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -174.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.25 35.94 6.46 Favored Glycine 0 N--CA 1.472 1.058 0 C-N-CA 124.471 1.034 . . . . 0.0 114.589 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -98.65 138.66 35.51 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.819 1.248 . . . . 0.0 109.74 174.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -72.68 134.76 45.22 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.62 0.768 . . . . 0.0 111.8 -174.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.33 -28.86 68.48 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -77.81 -17.52 57.36 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.1 mt -101.4 -11.64 19.22 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.229 1.412 . . . . 0.0 112.669 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.4 tpp -53.53 -42.59 67.6 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.082 1.353 . . . . 0.0 112.692 -173.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -55.4 -49.76 71.51 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.178 0.991 . . . . 0.0 112.04 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.03 -43.79 98.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.954 1.301 . . . . 0.0 110.795 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -66.96 -50.24 62.95 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.19 0.996 . . . . 0.0 112.909 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -65.76 -33.96 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.57 1.077 . . . . 0.0 111.699 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -69.77 -43.77 71.51 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.482 0.583 . . . . 0.0 111.503 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.3 -52.37 63.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.522 1.129 . . . . 0.0 110.616 170.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.21 -40.88 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.661 0.784 . . . . 0.0 111.958 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -63.35 -39.32 94.2 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -83.29 -16.67 45.36 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -90.89 -56.84 3.03 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.465 1.106 . . . . 0.0 112.003 174.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 m -126.67 3.93 6.76 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m 60.09 25.36 14.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.571 1.548 . . . . 0.0 113.688 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 mtm-85 68.82 24.84 6.41 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.109 1.764 . . . . 0.0 113.266 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -116.95 120.19 37.65 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.124 1.77 . . . . 0.0 110.83 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.0 p -69.37 -26.41 64.65 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 119.09 -0.481 . . . . 0.0 112.224 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -76.12 -3.83 38.23 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -74.84 140.56 44.0 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.956 -1.09 . . . . 0.0 113.317 -172.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.4 p -143.2 155.83 44.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.273 1.829 . . . . 0.0 111.881 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -150.53 130.49 13.39 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.19 1.396 . . . . 0.0 111.305 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.6 m -86.16 142.86 28.33 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.444 1.098 . . . . 0.0 109.918 176.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -102.11 157.01 17.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.306 1.443 . . . . 0.0 111.717 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -63.21 -22.6 66.97 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.179 0.991 . . . . 0.0 113.095 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -84.93 2.8 41.18 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.785 1.634 . . . . 0.0 113.689 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.25 -2.87 85.47 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.602 1.572 . . . . 0.0 115.781 172.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.3 p -86.35 163.83 17.43 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.834 1.254 . . . . 0.0 111.65 171.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -125.03 151.12 46.02 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.423 1.089 . . . . 0.0 111.288 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -101.91 145.62 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.525 1.93 . . . . 0.0 110.041 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -143.91 148.11 34.95 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.194 1.398 . . . . 0.0 113.137 -171.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.9 -177.96 49.3 Favored Glycine 0 N--CA 1.468 0.772 0 O-C-N 121.596 -0.69 . . . . 0.0 113.794 172.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -14.21 61.21 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 -168.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.77 15.23 17.52 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.845 1.258 . . . . 0.0 111.458 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 45.2 57.62 4.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.1 1.76 . . . . 0.0 111.745 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.4 mt -82.77 133.62 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.83 1.252 . . . . 0.0 109.917 -172.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -95.72 137.6 34.57 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -169.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -65.18 -13.41 58.14 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -175.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -89.01 -13.36 38.98 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.007 0.923 . . . . 0.0 112.926 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -130.65 -61.85 0.94 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -168.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -101.73 -51.97 3.31 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.685 0.794 . . . . 0.0 112.698 -167.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.4 p -101.35 169.08 9.12 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.329 1.452 . . . . 0.0 112.754 172.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.3 t -117.19 132.35 56.66 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.043 1.737 . . . . 0.0 112.108 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -83.95 -10.92 57.57 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.13 -159.98 17.13 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.29 0.948 . . . . 0.0 113.281 -169.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.55 -8.02 55.67 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -150.91 151.24 29.57 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 125.444 1.497 . . . . 0.0 111.576 -171.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -67.59 147.15 75.87 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.209 2.606 . . . . 0.0 109.755 169.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.95 29.23 0.02 OUTLIER Glycine 0 N--CA 1.475 1.292 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 -171.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -119.01 -168.87 1.63 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.264 1.425 . . . . 0.0 110.723 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.54 -29.24 66.18 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -168.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.6 m -104.52 7.69 35.33 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.1 t30 54.24 49.67 18.1 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.903 1.681 . . . . 0.0 112.749 171.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.3 p -149.77 143.99 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.331 1.452 . . . . 0.0 110.248 -171.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -94.41 134.47 36.89 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.079 1.352 . . . . 0.0 110.913 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.6 m -48.03 -36.6 13.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.068 1.747 . . . . 0.0 113.886 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -69.81 -31.61 69.6 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -73.01 -10.46 59.83 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 120.549 -1.345 . . . . 0.0 112.272 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 mt -81.21 -14.73 57.22 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.465 -0.772 . . . . 0.0 112.283 170.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.7 mt -95.05 7.85 44.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.498 1.519 . . . . 0.0 112.932 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.7 t -80.47 -178.28 6.61 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.528 1.531 . . . . 0.0 111.95 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -92.35 10.87 28.01 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.42 1.488 . . . . 0.0 113.88 -170.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -135.27 127.12 29.38 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.102 1.761 . . . . 0.0 108.179 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.3 pt -68.77 -13.95 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 124.807 1.243 . . . . 0.0 113.048 -174.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t -52.21 -37.34 54.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.302 1.841 . . . . 0.0 114.462 -170.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -63.65 -32.03 73.38 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.279 0.632 . . . . 0.0 112.369 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -41.35 13.89 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.898 1.279 . . . . 0.0 111.298 174.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.66 97.09 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.584 1.154 . . . . 0.0 113.117 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.62 -33.27 72.42 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.12 -0.987 . . . . 0.0 112.714 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 25.4 t -67.36 -38.49 84.87 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.954 0.902 . . . . 0.0 111.222 171.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.89 -35.22 77.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.447 1.099 . . . . 0.0 113.078 173.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.64 -40.5 95.12 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.359 1.436 . . . . 0.0 112.636 171.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -69.52 -20.9 63.69 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.529 -0.732 . . . . 0.0 112.925 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 92.3 mt -77.88 -48.65 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.281 -0.887 . . . . 0.0 109.719 168.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -28.67 62.66 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.928 1.291 . . . . 0.0 114.027 178.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -58.62 -23.75 59.6 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.971 2.108 . . . . 0.0 114.193 172.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -115.81 -34.18 4.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.874 1.67 . . . . 0.0 112.567 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -144.68 82.92 1.69 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.888 2.075 . . . . 0.0 110.176 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -43.89 2.9 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.213 1.805 . . . . 0.0 114.31 -171.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -144.46 -4.42 0.78 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.307 1.843 . . . . 0.0 112.767 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -12.84 60.03 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.627 1.971 . . . . 0.0 113.944 -167.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.42 -5.86 55.6 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.961 1.304 . . . . 0.0 113.602 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -121.62 137.27 54.81 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.45 1.5 . . . . 0.0 112.276 -174.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -83.95 -37.09 22.73 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -170.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -65.18 -28.91 74.11 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 123.781 0.705 . . . . 0.0 112.398 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -66.18 -45.36 81.14 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -81.49 -15.92 53.5 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -95.28 -29.09 14.67 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.471 1.108 . . . . 0.0 113.844 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -126.94 -46.07 1.56 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 55.3 m -69.92 -7.19 38.37 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -172.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -74.04 -23.28 59.37 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.132 0.973 . . . . 0.0 112.682 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.83 -39.75 7.43 Favored Glycine 0 N--CA 1.471 1.0 0 C-N-CA 123.959 0.79 . . . . 0.0 113.588 -176.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.9 t -169.87 152.43 4.46 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.478 1.511 . . . . 0.0 111.414 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.4 mt -120.93 149.34 50.72 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.991 1.716 . . . . 0.0 111.417 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -73.58 166.31 30.13 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 124.001 3.134 . . . . 0.0 112.198 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.13 144.68 38.27 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.145 0.978 . . . . 0.0 112.552 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.1 pt -128.07 -4.91 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.867 1.667 . . . . 0.0 113.401 171.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 96.0 p -69.13 -16.12 63.58 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.802 -1.186 . . . . 0.0 113.245 -178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.9 m -84.65 -3.44 58.51 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.128 1.371 . . . . 0.0 113.67 170.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.642 1.577 . . . . 0.0 112.419 -173.474 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.304 0 N-CA-C 112.244 -0.342 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -157.72 163.5 38.08 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.189 1.796 . . . . 0.0 112.494 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -106.3 134.11 49.96 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.827 1.251 . . . . 0.0 110.427 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -99.07 156.44 16.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.225 1.81 . . . . 0.0 110.628 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.7 t -95.63 159.63 14.9 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.863 1.265 . . . . 0.0 108.571 168.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.13 -45.64 79.5 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.285 0.948 . . . . 0.0 111.959 -175.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.5 m -61.33 -35.83 78.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.5 -44.25 51.04 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 124.188 0.899 . . . . 0.0 111.527 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.74 -48.8 77.63 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.043 1.337 . . . . 0.0 111.875 176.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.2 t -49.94 -45.98 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 119.082 0.856 . . . . 0.0 110.553 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -69.18 -44.22 72.65 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.998 0.919 . . . . 0.0 113.23 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.2 -42.39 98.5 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.357 1.063 . . . . 0.0 110.993 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.51 -40.23 70.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.887 0.875 . . . . 0.0 112.219 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -56.36 -40.95 75.35 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 118.272 0.487 . . . . 0.0 111.845 172.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -72.33 -26.37 61.91 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.944 0.898 . . . . 0.0 113.253 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -92.34 6.14 47.98 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.192 1.397 . . . . 0.0 114.187 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.96 23.03 21.59 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.741 1.162 . . . . 0.0 115.321 169.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -89.15 137.6 32.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.431 1.116 . . . . 0.0 109.923 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -74.6 136.52 42.03 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.683 0.793 . . . . 0.0 111.974 -174.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.36 -27.85 67.72 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -79.25 -19.11 51.44 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.0 mt -97.49 -17.2 19.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.006 1.322 . . . . 0.0 112.391 175.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.1 tpp -49.25 -44.44 43.71 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.164 1.786 . . . . 0.0 113.536 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -56.95 -46.57 82.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.173 0.989 . . . . 0.0 112.912 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -63.88 -44.52 92.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.193 0.597 . . . . 0.0 111.225 173.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -64.55 -49.13 72.42 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.696 -0.669 . . . . 0.0 112.697 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 m -65.95 -35.27 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.465 1.029 . . . . 0.0 111.786 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -71.49 -41.25 69.54 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.669 0.668 . . . . 0.0 111.735 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 tt -56.38 -52.95 62.72 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.967 1.307 . . . . 0.0 110.269 169.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.96 -39.99 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.662 0.785 . . . . 0.0 112.019 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -63.19 -40.71 98.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -81.39 -18.76 44.37 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -90.0 -57.25 2.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.261 1.024 . . . . 0.0 111.938 175.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 m -125.65 5.35 7.49 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -170.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m 60.4 22.35 11.93 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.311 1.445 . . . . 0.0 113.841 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 68.41 26.46 6.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.738 1.615 . . . . 0.0 112.903 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -117.67 118.47 32.19 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.838 1.655 . . . . 0.0 111.172 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.8 p -68.89 -26.24 65.01 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -74.96 -5.48 44.12 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -70.76 136.83 49.14 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.801 -1.187 . . . . 0.0 112.645 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -143.01 148.98 37.67 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.896 2.079 . . . . 0.0 111.472 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -149.54 128.76 12.83 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.86 1.264 . . . . 0.0 111.691 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -87.96 141.26 28.72 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.762 1.225 . . . . 0.0 110.252 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -102.38 157.81 16.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.479 1.512 . . . . 0.0 112.085 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -57.1 -30.57 64.48 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.641 1.176 . . . . 0.0 113.904 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -74.7 -4.4 37.18 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 126.493 1.917 . . . . 0.0 114.066 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.25 81.99 Favored Glycine 0 N--CA 1.475 1.299 0 C-N-CA 125.531 1.539 . . . . 0.0 115.217 173.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 p -89.59 163.1 15.32 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.548 1.539 . . . . 0.0 111.656 172.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -122.59 149.91 43.33 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.566 1.146 . . . . 0.0 111.158 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -100.12 144.4 29.2 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.756 2.022 . . . . 0.0 110.147 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.45 148.31 37.53 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.332 1.453 . . . . 0.0 112.726 -171.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.07 -177.34 48.4 Favored Glycine 0 N--CA 1.469 0.863 0 O-C-N 121.536 -0.727 . . . . 0.0 114.081 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -13.2 60.15 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 -168.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -115.54 15.55 16.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.864 1.266 . . . . 0.0 111.44 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 44.23 58.49 3.71 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.233 1.813 . . . . 0.0 111.794 -176.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.2 mt -83.92 132.81 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.555 1.142 . . . . 0.0 110.27 -171.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -94.15 138.88 31.69 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -169.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.14 -12.15 53.89 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -175.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -94.94 -15.38 23.64 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.327 1.051 . . . . 0.0 113.175 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -128.67 -27.5 2.58 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 116.797 2.147 . . . . 0.0 116.797 -167.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -138.47 -56.89 0.64 Allowed 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.312 0.96 . . . . 0.0 112.693 -168.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 p -97.5 168.62 10.26 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.033 1.333 . . . . 0.0 111.85 169.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 t -117.88 133.83 55.54 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.385 1.474 . . . . 0.0 112.136 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -83.01 -12.62 57.09 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.75 -170.73 29.53 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.177 0.894 . . . . 0.0 112.416 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.64 -4.5 19.66 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -173.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.3 p -156.33 155.3 28.74 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 127.003 2.121 . . . . 0.0 110.289 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.62 151.28 69.84 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.877 2.385 . . . . 0.0 110.351 175.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.72 32.73 0.02 OUTLIER Glycine 0 N--CA 1.477 1.389 0 N-CA-C 117.697 1.839 . . . . 0.0 117.697 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -121.9 -168.86 1.78 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.191 1.396 . . . . 0.0 110.622 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.62 -23.96 63.43 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -169.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.8 m -105.95 4.04 29.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.668 1.187 . . . . 0.0 113.871 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.3 t30 54.1 50.61 16.21 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.107 1.763 . . . . 0.0 112.675 173.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.2 p -150.43 148.8 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.61 1.564 . . . . 0.0 109.863 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.2 tttt -99.92 135.55 41.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.375 1.47 . . . . 0.0 110.8 -175.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.9 m -49.98 -37.16 31.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.804 1.642 . . . . 0.0 114.05 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -73.64 -29.18 62.19 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.697 -0.627 . . . . 0.0 112.571 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -13.02 62.0 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.96 -1.088 . . . . 0.0 113.001 173.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.6 mt -81.89 -11.47 58.9 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.907 0.883 . . . . 0.0 112.358 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.4 mt -97.48 7.37 46.63 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.461 1.505 . . . . 0.0 113.096 -174.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.4 p -80.85 -177.12 6.22 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.051 1.34 . . . . 0.0 112.63 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.52 -8.22 59.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.545 1.538 . . . . 0.0 114.892 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -114.94 125.98 54.25 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.126 1.371 . . . . 0.0 109.61 169.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.9 pt -69.49 -14.08 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.437 1.495 . . . . 0.0 113.336 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.8 t -53.45 -33.46 54.19 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.156 1.382 . . . . 0.0 114.702 -168.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -31.89 72.94 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.166 0.893 . . . . 0.0 111.872 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.24 -40.33 16.75 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.464 1.105 . . . . 0.0 110.74 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.35 79.31 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.076 0.951 . . . . 0.0 113.414 -177.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -67.62 -36.34 80.62 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.844 -1.16 . . . . 0.0 112.878 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.4 t -74.01 -31.87 63.12 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.772 1.629 . . . . 0.0 111.054 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.92 93.87 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.53 1.132 . . . . 0.0 111.745 168.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -42.01 95.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.874 1.216 . . . . 0.0 112.812 172.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -66.6 -24.06 66.27 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.137 0.975 . . . . 0.0 112.901 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 80.2 mt -78.66 -47.1 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.831 0.852 . . . . 0.0 110.248 168.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -27.01 53.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.363 1.465 . . . . 0.0 113.653 176.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.29 -17.66 5.01 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.853 2.061 . . . . 0.0 115.149 169.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -130.47 -29.67 1.96 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.699 1.599 . . . . 0.0 113.216 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -140.69 82.49 1.85 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.168 1.787 . . . . 0.0 110.409 -175.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -51.05 -40.38 58.17 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -169.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -140.7 -4.83 1.21 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.542 1.537 . . . . 0.0 112.885 170.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.28 -17.49 60.85 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.456 1.902 . . . . 0.0 114.457 -167.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.78 -5.61 53.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.589 1.156 . . . . 0.0 113.718 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.7 m-90 -124.84 122.55 37.72 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.932 1.293 . . . . 0.0 111.985 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -70.8 -32.78 69.97 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -171.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.47 -30.72 78.43 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 123.83 0.729 . . . . 0.0 112.673 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -70.25 -46.33 64.64 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.029 0.915 . . . . 0.0 112.579 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -77.87 -12.36 59.97 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -98.32 -29.92 12.89 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.466 1.106 . . . . 0.0 113.897 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -124.4 -43.47 2.05 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 69.3 m -69.14 -9.09 51.1 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -75.28 -21.68 58.33 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.156 0.982 . . . . 0.0 112.651 175.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.16 -44.56 5.61 Favored Glycine 0 C--N 1.344 0.974 0 C-N-CA 124.08 0.848 . . . . 0.0 112.999 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.5 t -169.75 157.2 6.79 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.711 1.605 . . . . 0.0 111.195 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.73 150.72 53.22 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.695 1.598 . . . . 0.0 111.839 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -69.94 145.86 57.37 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.767 2.978 . . . . 0.0 110.39 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -80.78 152.22 28.4 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 122.444 1.116 . . . . 0.0 111.248 172.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.2 pt -135.85 1.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 127.317 2.247 . . . . 0.0 112.547 -172.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 99.7 p -58.2 -19.98 37.74 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.9 m -80.75 -8.67 59.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.124 1.37 . . . . 0.0 114.054 173.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.25 1.097 0 C-N-CA 125.803 1.641 . . . . 0.0 112.157 -175.108 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.313 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -158.38 166.07 33.16 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.139 1.776 . . . . 0.0 112.503 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 m -108.03 130.4 55.08 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.849 1.26 . . . . 0.0 110.016 175.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -94.42 158.82 15.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.955 1.702 . . . . 0.0 110.907 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -99.15 158.88 15.37 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.152 1.381 . . . . 0.0 108.597 168.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -56.07 -45.74 79.23 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.32 0.964 . . . . 0.0 111.984 -175.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.6 m -61.89 -33.46 74.26 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.13 -45.5 31.39 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 124.216 0.912 . . . . 0.0 111.421 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.23 -48.82 78.29 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.153 1.381 . . . . 0.0 111.971 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.9 t -50.42 -45.56 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.07 0.85 . . . . 0.0 110.585 174.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -69.52 -43.38 73.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.033 0.933 . . . . 0.0 113.268 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.47 -38.79 91.2 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.762 1.225 . . . . 0.0 111.248 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.77 -40.5 55.19 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.814 0.846 . . . . 0.0 112.268 176.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -55.84 -41.29 74.06 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.366 0.53 . . . . 0.0 111.609 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -66.41 -39.26 88.88 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.412 1.885 . . . . 0.0 112.423 173.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -85.03 -1.32 56.69 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -176.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.03 39.94 3.67 Favored Glycine 0 N--CA 1.472 1.092 0 C-N-CA 124.74 1.162 . . . . 0.0 114.509 172.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -104.2 139.22 39.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.2 1.4 . . . . 0.0 109.518 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -76.87 137.9 39.44 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.398 0.679 . . . . 0.0 111.898 -172.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.25 -26.85 68.04 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -82.31 -15.43 52.94 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.9 mt -100.31 -13.99 18.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.877 1.271 . . . . 0.0 112.344 173.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.2 tpp -51.47 -44.35 62.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.383 1.473 . . . . 0.0 112.961 -174.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -55.76 -48.03 75.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.123 0.969 . . . . 0.0 112.558 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -61.31 -46.44 90.27 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.703 0.801 . . . . 0.0 110.576 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -65.41 -49.4 69.38 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.948 0.899 . . . . 0.0 112.715 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.2 m -65.91 -34.11 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 119.319 0.963 . . . . 0.0 111.761 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -72.17 -42.12 66.26 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.637 0.653 . . . . 0.0 111.942 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.63 -53.07 59.62 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.507 1.523 . . . . 0.0 110.347 169.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 t -60.82 -42.05 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.784 0.834 . . . . 0.0 111.584 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -64.12 -30.42 71.48 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -85.28 -22.23 28.67 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -91.55 -55.46 3.49 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.092 0.957 . . . . 0.0 112.337 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.8 p -111.43 -16.32 13.36 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.3 m 66.99 28.49 8.46 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.721 1.208 . . . . 0.0 111.588 -166.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 74.5 29.76 1.15 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.372 1.869 . . . . 0.0 112.347 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -117.65 115.36 24.92 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.05 1.34 . . . . 0.0 111.964 -173.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.9 p -69.44 -26.46 64.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 122.096 -0.378 . . . . 0.0 111.591 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.2 m -74.94 -2.36 26.68 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -71.85 142.93 49.58 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 121.064 -1.022 . . . . 0.0 113.315 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.3 p -153.15 150.74 29.39 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 127.984 2.513 . . . . 0.0 111.197 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -157.32 123.01 4.67 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.138 1.775 . . . . 0.0 110.292 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 m -89.92 137.51 32.27 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.712 1.205 . . . . 0.0 110.267 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -106.01 162.67 13.4 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.212 1.405 . . . . 0.0 112.595 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -64.07 -24.17 67.6 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.538 1.135 . . . . 0.0 113.304 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.86 -14.98 61.61 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.59 1.556 . . . . 0.0 113.783 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.8 -1.37 74.79 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.451 1.5 . . . . 0.0 114.127 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.4 p -81.25 173.73 12.21 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.873 1.269 . . . . 0.0 111.728 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -143.9 153.39 42.26 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.87 1.268 . . . . 0.0 111.184 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.79 148.81 26.13 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.701 0.8 . . . . 0.0 110.924 169.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -143.0 139.11 30.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.105 1.362 . . . . 0.0 112.17 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.85 -172.45 53.11 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 115.872 1.109 . . . . 0.0 115.872 168.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.77 -19.19 62.73 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -169.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.05 14.55 17.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.009 1.724 . . . . 0.0 111.542 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 56.04 49.06 16.43 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.521 1.929 . . . . 0.0 111.447 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.2 mt -80.0 134.43 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 124.389 1.076 . . . . 0.0 110.136 -169.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -101.08 136.27 41.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.558 0.694 . . . . 0.0 112.524 -171.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -64.79 -12.23 45.43 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.086 1.884 . . . . 0.0 116.086 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -81.94 -18.52 43.27 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.517 1.127 . . . . 0.0 112.804 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -131.0 -59.41 0.99 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -167.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -102.55 -51.8 3.24 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.785 0.834 . . . . 0.0 113.158 -166.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.0 p -100.8 167.71 10.12 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.215 1.406 . . . . 0.0 112.911 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -114.83 131.21 56.9 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.765 1.626 . . . . 0.0 112.121 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -84.85 -10.35 57.24 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.11 -159.78 19.96 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.413 1.006 . . . . 0.0 113.369 -170.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.88 -2.28 32.68 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.2 p -158.19 153.69 22.42 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.229 1.411 . . . . 0.0 112.105 -172.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -69.94 146.89 60.42 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.447 2.765 . . . . 0.0 110.233 171.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.2 29.98 0.02 OUTLIER Glycine 0 N--CA 1.475 1.299 0 N-CA-C 117.321 1.688 . . . . 0.0 117.321 -171.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -119.34 -168.91 1.66 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.383 1.473 . . . . 0.0 110.773 175.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.75 -26.06 63.62 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -168.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 65.6 m -107.19 5.9 28.18 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.66 1.184 . . . . 0.0 113.944 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 54.16 50.18 17.08 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.941 1.696 . . . . 0.0 112.753 172.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.2 p -150.25 143.49 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.25 1.42 . . . . 0.0 110.397 -172.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -92.26 134.6 34.74 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.946 1.298 . . . . 0.0 111.182 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 72.5 m -48.63 -36.19 15.31 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.232 1.813 . . . . 0.0 114.142 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -68.99 -33.3 73.46 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.8 -9.73 58.99 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.758 -1.214 . . . . 0.0 112.478 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -81.41 -14.74 56.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.905 0.775 . . . . 0.0 112.439 171.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 mt -96.02 10.94 35.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.258 1.423 . . . . 0.0 113.095 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -85.58 -178.33 6.64 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.715 1.606 . . . . 0.0 112.204 -176.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -86.75 -6.57 58.79 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -171.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -117.68 126.46 52.53 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.154 1.382 . . . . 0.0 109.252 168.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.2 pt -68.29 -14.01 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.69 1.196 . . . . 0.0 113.336 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.7 t -51.95 -37.51 53.13 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.984 1.714 . . . . 0.0 114.489 -169.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.59 -32.62 74.14 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.27 0.628 . . . . 0.0 112.114 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.74 -38.94 16.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.997 1.319 . . . . 0.0 111.539 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.12 86.01 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.375 1.07 . . . . 0.0 113.244 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.45 -32.26 71.09 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.784 -1.198 . . . . 0.0 112.489 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 38.2 t -67.87 -36.99 81.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.068 0.947 . . . . 0.0 111.264 170.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.37 85.56 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.147 0.979 . . . . 0.0 112.7 171.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -63.78 -41.76 97.89 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.529 1.513 . . . . 0.0 112.331 170.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -63.67 -26.83 68.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.861 0.864 . . . . 0.0 112.761 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 86.8 mt -75.98 -49.22 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.731 0.812 . . . . 0.0 111.013 168.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -27.75 62.59 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.881 1.272 . . . . 0.0 113.504 -178.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -57.67 -22.18 44.4 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.985 1.714 . . . . 0.0 114.949 169.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -115.66 -36.27 4.28 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.545 1.538 . . . . 0.0 112.267 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -141.13 81.15 1.77 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.093 1.757 . . . . 0.0 110.661 -173.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -42.24 33.47 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -169.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -139.61 -7.74 1.28 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.113 1.365 . . . . 0.0 113.052 169.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.04 -13.92 61.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.68 1.192 . . . . 0.0 113.978 -172.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.01 -7.84 53.92 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 172.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -126.84 107.9 10.53 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.893 1.277 . . . . 0.0 112.58 -174.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -52.19 -35.26 48.64 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.928 1.691 . . . . 0.0 113.024 169.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.01 -13.76 49.81 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 125.215 1.388 . . . . 0.0 114.102 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -96.84 -56.9 2.42 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.839 1.32 . . . . 0.0 112.401 168.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -70.31 -16.47 63.01 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -172.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -113.14 -9.07 13.54 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -139.64 -8.28 1.26 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 -170.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 96.5 m -103.44 1.71 32.85 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.637 1.108 . . . . 0.0 113.921 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -86.15 -21.38 27.59 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -170.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.08 -36.43 11.13 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.787 0.708 . . . . 0.0 113.441 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.2 t -171.98 154.16 3.41 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.31 1.844 . . . . 0.0 110.802 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 87.9 mt -117.87 151.28 48.57 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.647 1.579 . . . . 0.0 111.603 175.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -70.2 151.37 66.54 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.742 2.961 . . . . 0.0 110.714 174.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -79.11 148.9 32.22 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 122.236 1.017 . . . . 0.0 111.822 171.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.3 pt -129.1 -0.24 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.999 2.12 . . . . 0.0 112.735 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.4 m -63.58 -17.65 63.07 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -174.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.5 m -83.98 -6.93 59.51 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.153 1.381 . . . . 0.0 113.836 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--O 1.254 1.312 0 C-N-CA 125.673 1.589 . . . . 0.0 112.164 -174.711 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.332 0 N-CA-C 112.174 -0.37 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -160.09 168.65 25.05 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.657 1.983 . . . . 0.0 112.607 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 m -115.73 132.79 56.53 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.771 1.229 . . . . 0.0 110.51 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.37 162.28 13.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.489 1.516 . . . . 0.0 111.688 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.3 t -104.47 160.51 14.86 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.593 1.557 . . . . 0.0 107.99 166.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -57.39 -44.12 84.22 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.364 0.984 . . . . 0.0 111.997 -174.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m -63.41 -25.44 68.28 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 176.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.77 -48.34 6.69 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.459 1.028 . . . . 0.0 111.201 171.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.14 -46.26 88.04 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.402 1.081 . . . . 0.0 112.436 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.09 -45.0 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 119.378 0.99 . . . . 0.0 110.514 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -70.39 -42.33 71.85 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.21 1.004 . . . . 0.0 113.057 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.07 -42.14 98.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.498 1.119 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -73.66 -39.47 64.44 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.914 0.886 . . . . 0.0 112.137 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -56.19 -41.43 75.55 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.983 0.513 . . . . 0.0 111.738 172.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -69.84 -31.83 69.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.857 1.263 . . . . 0.0 112.662 174.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -87.96 -0.53 57.13 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.941 1.459 . . . . 0.0 114.941 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.77 35.53 5.84 Favored Glycine 0 N--CA 1.472 1.044 0 C-N-CA 124.501 1.048 . . . . 0.0 114.272 172.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -91.31 149.06 21.91 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.109 0.955 . . . . 0.0 111.316 173.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -72.0 122.35 20.71 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.846 1.658 . . . . 0.0 110.316 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.18 -27.65 69.11 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -175.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -81.2 -14.44 57.54 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 mt -103.6 -5.5 22.6 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.617 1.167 . . . . 0.0 113.179 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.3 tpp -52.05 -44.01 64.05 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.598 1.159 . . . . 0.0 112.541 -174.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -54.83 -48.62 72.6 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.634 1.174 . . . . 0.0 112.332 173.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -61.42 -46.53 89.75 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.077 1.351 . . . . 0.0 110.698 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -65.62 -50.0 66.63 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.65 1.18 . . . . 0.0 112.714 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.8 m -64.93 -34.98 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.021 0.828 . . . . 0.0 111.501 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -71.52 -41.97 68.55 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.769 0.713 . . . . 0.0 112.104 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.53 -53.8 49.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.793 1.237 . . . . 0.0 110.303 170.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.96 -40.75 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.448 0.699 . . . . 0.0 112.037 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.03 -22.37 66.98 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -101.62 -14.09 17.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -89.45 -55.84 3.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.273 1.029 . . . . 0.0 111.562 172.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.5 p -114.49 -15.79 12.0 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m 68.92 26.52 5.78 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.871 1.269 . . . . 0.0 111.345 -166.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 71.08 32.01 2.37 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.155 2.182 . . . . 0.0 113.006 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -113.53 115.13 27.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.776 1.231 . . . . 0.0 111.478 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.5 p -70.04 -25.58 63.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 119.261 -0.4 . . . . 0.0 111.908 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -78.3 -2.4 37.85 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -68.84 142.31 54.88 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.225 -0.922 . . . . 0.0 113.094 -172.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.6 p -153.42 145.2 23.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.505 2.322 . . . . 0.0 111.379 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -156.14 127.11 6.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.781 1.632 . . . . 0.0 110.542 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.6 m -81.66 137.18 35.47 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.3 1.04 . . . . 0.0 110.495 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -99.48 160.68 14.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.717 1.607 . . . . 0.0 112.217 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.42 -23.91 67.61 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.44 1.096 . . . . 0.0 113.363 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -80.11 -4.46 52.97 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.402 1.481 . . . . 0.0 114.135 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.56 -3.47 85.13 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.227 1.394 . . . . 0.0 114.369 -177.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 p -79.68 178.91 7.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.551 1.54 . . . . 0.0 111.791 169.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -142.21 160.86 39.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.958 1.303 . . . . 0.0 110.644 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.21 148.3 23.69 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.282 1.033 . . . . 0.0 110.691 169.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -142.63 133.82 26.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.256 1.422 . . . . 0.0 111.488 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.55 -173.14 51.12 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 116.016 1.166 . . . . 0.0 116.016 169.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.35 -19.91 63.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -168.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -115.28 17.17 16.71 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.083 1.753 . . . . 0.0 111.194 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 55.61 46.37 22.93 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.072 1.749 . . . . 0.0 111.589 171.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.0 mt -77.26 133.33 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.456 1.102 . . . . 0.0 109.627 -169.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -101.13 140.29 35.64 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.594 0.712 . . . . 0.0 112.643 -173.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.81 -9.03 25.01 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.173 1.389 . . . . 0.0 114.322 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -86.41 -18.34 32.01 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.335 1.454 . . . . 0.0 113.145 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -131.6 -35.17 1.31 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -167.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -139.67 -40.17 0.45 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -167.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.8 p -102.15 169.15 8.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.08 0.952 . . . . 0.0 113.565 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.4 t -113.71 129.44 56.57 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.634 1.574 . . . . 0.0 111.082 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -89.14 -9.53 50.64 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.94 -159.04 21.31 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.663 1.125 . . . . 0.0 112.958 -173.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.89 2.02 24.92 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 t -159.95 143.9 10.64 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.46 1.104 . . . . 0.0 111.903 -171.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.68 150.95 79.61 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.415 2.743 . . . . 0.0 111.102 172.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 161.63 93.03 0.09 OUTLIER Glycine 0 N--CA 1.468 0.828 0 O-C-N 122.085 -0.385 . . . . 0.0 112.897 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -167.26 -175.16 2.83 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 129.055 2.942 . . . . 0.0 109.502 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -56.24 -23.56 36.77 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.554 1.142 . . . . 0.0 114.035 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 64.3 m -109.9 -1.85 17.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.221 1.409 . . . . 0.0 114.626 176.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 49.98 54.98 10.13 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.873 1.669 . . . . 0.0 113.538 173.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.1 144.03 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.571 1.148 . . . . 0.0 111.334 -172.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -97.1 135.26 39.33 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.135 1.374 . . . . 0.0 110.965 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.2 m -47.99 -37.71 15.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.772 1.629 . . . . 0.0 114.178 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -69.17 -33.57 73.6 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.62 -11.2 60.73 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.787 -1.195 . . . . 0.0 112.667 174.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.7 mt -81.36 -14.66 56.99 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.509 -0.745 . . . . 0.0 112.643 173.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.4 mt -97.57 8.91 43.77 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.249 1.42 . . . . 0.0 113.395 -176.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -85.11 -177.57 6.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.862 1.665 . . . . 0.0 112.31 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -85.73 -6.5 59.11 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -172.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -116.37 124.75 50.85 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.305 1.442 . . . . 0.0 109.655 169.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.5 pt -68.54 -14.97 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.632 1.173 . . . . 0.0 113.443 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.1 t -53.91 -33.26 56.12 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -169.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.45 -33.41 75.87 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.391 0.541 . . . . 0.0 111.605 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.65 -38.8 17.98 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.937 1.295 . . . . 0.0 111.525 173.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.22 75.77 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.041 0.936 . . . . 0.0 113.423 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -71.59 -30.13 65.47 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.716 -1.24 . . . . 0.0 112.427 173.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.2 t -67.31 -37.82 83.96 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.309 0.644 . . . . 0.0 110.956 169.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.28 93.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.163 0.985 . . . . 0.0 112.684 172.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -61.33 -40.97 96.2 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.195 1.361 . . . . 0.0 112.188 170.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -67.95 -21.9 65.06 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.301 1.04 . . . . 0.0 113.371 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 90.7 mt -79.86 -44.64 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.186 0.994 . . . . 0.0 110.326 168.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -25.89 56.26 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.313 1.445 . . . . 0.0 113.851 177.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -55.7 -26.64 46.06 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.487 1.515 . . . . 0.0 114.355 169.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.3 mtt85 -114.04 -37.97 4.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.503 1.521 . . . . 0.0 112.642 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -143.66 94.42 2.6 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.605 1.562 . . . . 0.0 110.758 -176.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -54.47 -39.7 67.73 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -171.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -142.93 -16.48 0.69 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.068 1.347 . . . . 0.0 113.561 176.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.38 -11.29 60.21 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -171.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.81 -7.3 47.46 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.212 1.005 . . . . 0.0 113.603 171.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.3 m-90 -125.3 127.75 47.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.419 1.488 . . . . 0.0 111.85 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -78.44 -32.82 48.74 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -170.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.6 -29.2 74.52 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.216 0.912 . . . . 0.0 112.593 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -64.25 -55.9 18.34 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.037 0.919 . . . . 0.0 112.072 172.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -69.74 -19.17 63.54 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -93.75 -28.07 16.14 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -130.55 -14.57 3.66 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -174.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.9 m -114.1 1.6 14.66 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 -169.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -33.05 59.33 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -171.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.17 -24.98 8.58 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.48 1.038 . . . . 0.0 114.777 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -153.31 138.54 17.45 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.241 1.416 . . . . 0.0 111.374 -171.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.9 mt -127.11 152.62 76.1 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 125.595 1.558 . . . . 0.0 112.03 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.43 156.1 62.32 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 124.307 3.338 . . . . 0.0 112.106 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -77.77 142.89 38.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.091 0.956 . . . . 0.0 111.63 170.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.78 -0.82 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.678 1.991 . . . . 0.0 112.876 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.6 p -66.54 -13.51 61.07 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.2 m -82.18 -8.09 59.64 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.919 1.288 . . . . 0.0 113.837 170.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.672 1.589 . . . . 0.0 112.102 -176.28 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.084 0 N-CA-C 111.983 -0.447 . . . . 0.0 111.983 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -156.67 162.98 39.81 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.88 1.672 . . . . 0.0 112.573 -171.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 m -108.5 132.91 53.34 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.707 1.203 . . . . 0.0 110.614 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -98.83 155.66 17.26 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.935 1.694 . . . . 0.0 110.778 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.4 t -93.88 161.34 14.35 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.764 1.226 . . . . 0.0 108.544 168.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -56.62 -46.61 80.83 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.363 0.983 . . . . 0.0 111.866 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.3 m -60.29 -37.91 81.96 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.582 -0.699 . . . . 0.0 112.815 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.66 -45.6 65.51 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.168 0.89 . . . . 0.0 111.63 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.35 -49.33 75.98 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.074 1.349 . . . . 0.0 111.919 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.6 t -50.37 -45.63 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.757 0.823 . . . . 0.0 110.449 174.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -69.2 -41.44 77.11 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.28 -41.89 99.05 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.61 1.164 . . . . 0.0 111.007 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.3 mt -72.5 -38.54 68.09 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.147 0.979 . . . . 0.0 112.154 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -58.23 -39.94 80.42 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.925 -0.484 . . . . 0.0 112.006 172.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -68.69 -36.46 78.53 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.655 0.782 . . . . 0.0 112.43 172.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -84.66 -4.23 58.91 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -174.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.89 36.26 3.75 Favored Glycine 0 N--CA 1.474 1.179 0 C-N-CA 124.597 1.094 . . . . 0.0 114.681 170.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -102.29 138.09 39.68 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.24 1.416 . . . . 0.0 109.205 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -75.8 140.06 42.12 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.917 0.487 . . . . 0.0 111.895 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -63.23 -23.55 67.48 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -84.25 -17.15 40.68 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 mt -98.25 -13.93 20.55 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.43 1.092 . . . . 0.0 112.748 172.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.7 tpp -51.59 -44.0 62.65 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.432 1.493 . . . . 0.0 112.997 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -54.8 -50.12 69.32 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.127 0.971 . . . . 0.0 112.326 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.92 -43.34 99.05 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.643 1.177 . . . . 0.0 110.916 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -66.62 -51.08 60.31 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.139 0.976 . . . . 0.0 112.87 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -65.78 -33.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.452 1.024 . . . . 0.0 111.796 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 t -71.01 -42.4 69.62 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.54 0.609 . . . . 0.0 111.733 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tt -55.64 -52.66 63.05 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.465 1.106 . . . . 0.0 110.279 170.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -60.09 -42.16 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.823 0.849 . . . . 0.0 111.851 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.66 -39.54 94.23 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 176.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -82.92 -13.17 56.57 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -94.58 -60.26 1.75 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.529 1.131 . . . . 0.0 112.047 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -112.41 -9.51 13.83 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -172.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m 66.87 22.34 10.22 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.406 1.482 . . . . 0.0 113.056 -169.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 72.65 27.66 2.26 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.826 1.65 . . . . 0.0 112.205 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -119.1 118.63 31.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.131 1.373 . . . . 0.0 111.203 -176.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -68.63 -26.13 65.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 119.14 -0.457 . . . . 0.0 111.885 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -77.7 -5.68 51.35 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -71.7 143.77 49.55 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.994 -1.066 . . . . 0.0 112.431 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 74.5 p -144.44 160.55 40.89 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.844 1.658 . . . . 0.0 111.819 174.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -149.49 131.85 15.61 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.246 1.418 . . . . 0.0 111.083 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.2 m -89.57 148.5 23.33 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.914 1.286 . . . . 0.0 110.382 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -115.47 158.36 22.66 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.628 1.571 . . . . 0.0 111.695 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.91 -24.6 67.92 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.582 1.153 . . . . 0.0 113.7 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -73.85 -13.9 60.99 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.112 1.365 . . . . 0.0 113.859 174.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.63 -1.36 68.78 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.384 1.469 . . . . 0.0 114.065 -175.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.6 p -78.27 161.37 27.31 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.3 1.05 . . . . 0.0 111.479 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -131.75 153.2 50.32 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.542 1.137 . . . . 0.0 110.727 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -102.21 143.99 31.31 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.367 1.867 . . . . 0.0 109.799 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -141.78 145.76 35.13 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.553 1.141 . . . . 0.0 113.456 -170.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.62 -175.5 53.24 Favored Glycine 0 N--CA 1.467 0.753 0 CA-C-O 122.054 0.808 . . . . 0.0 114.14 170.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -20.68 66.5 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -168.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -108.22 9.6 28.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.557 1.143 . . . . 0.0 111.677 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 50.72 56.54 7.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.782 1.633 . . . . 0.0 111.555 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.1 mt -81.23 132.37 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 125.608 1.563 . . . . 0.0 109.469 -171.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.09 137.15 35.57 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.501 0.667 . . . . 0.0 112.68 -170.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -66.22 -12.14 54.31 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -81.59 -26.55 34.83 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.529 1.132 . . . . 0.0 112.558 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -123.74 -34.46 3.03 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 -167.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -134.35 -37.3 0.87 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -167.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.4 p -108.94 162.21 14.43 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.13 0.972 . . . . 0.0 112.684 169.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.8 t -105.25 131.72 52.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.308 1.443 . . . . 0.0 111.82 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.21 -8.08 59.64 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 174.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.55 -161.89 20.05 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.83 1.205 . . . . 0.0 113.71 -170.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.98 -3.02 42.91 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.344 1.058 . . . . 0.0 113.743 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.3 p -157.41 154.67 26.07 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 125.836 1.654 . . . . 0.0 111.328 -172.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -69.77 152.76 69.36 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.436 2.757 . . . . 0.0 110.602 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.86 69.22 0.04 OUTLIER Glycine 0 N--CA 1.472 1.086 0 N-CA-C 114.317 0.487 . . . . 0.0 114.317 -171.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -149.64 -178.13 6.26 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.103 2.161 . . . . 0.0 110.425 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.64 -25.86 60.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.815 1.246 . . . . 0.0 113.554 172.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.3 m -103.33 -1.69 28.29 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.2 t30 52.31 54.23 11.07 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.882 1.673 . . . . 0.0 113.112 172.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.1 p -149.86 146.0 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.708 1.203 . . . . 0.0 111.161 -172.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -99.07 137.79 37.1 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.804 1.642 . . . . 0.0 110.848 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 68.0 m -51.16 -36.93 43.5 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.043 1.337 . . . . 0.0 113.923 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -70.13 -31.43 68.95 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -72.05 -11.4 60.74 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.621 -1.3 . . . . 0.0 112.307 173.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.5 mt -80.98 -15.36 56.44 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.472 -0.767 . . . . 0.0 112.399 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 mt -94.99 7.68 45.29 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.488 1.515 . . . . 0.0 112.99 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.4 t -80.67 -178.37 6.73 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.486 1.514 . . . . 0.0 112.11 -177.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -92.67 11.41 26.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.608 1.563 . . . . 0.0 113.781 -170.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -135.12 126.64 28.72 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.352 1.861 . . . . 0.0 108.147 169.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.3 pt -69.58 -14.14 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.263 1.025 . . . . 0.0 113.03 -174.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.0 t -54.44 -36.13 63.71 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.361 1.464 . . . . 0.0 114.007 -169.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.9 -32.74 73.15 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.263 -0.898 . . . . 0.0 112.235 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.17 -39.29 15.63 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.752 1.221 . . . . 0.0 111.626 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.71 85.07 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.182 0.993 . . . . 0.0 113.239 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.47 -32.94 73.29 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.819 -1.176 . . . . 0.0 112.416 175.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 45.3 t -66.45 -40.04 89.19 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.747 0.819 . . . . 0.0 110.915 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.95 83.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.209 1.004 . . . . 0.0 112.844 172.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -62.97 -42.36 99.81 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.613 1.551 . . . . 0.0 112.591 170.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.58 -24.3 67.05 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.437 -0.79 . . . . 0.0 112.856 176.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 91.9 mt -76.74 -48.63 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.484 -0.76 . . . . 0.0 110.548 168.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.05 -28.73 58.68 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.931 1.292 . . . . 0.0 113.755 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -56.44 -25.36 50.29 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.614 1.566 . . . . 0.0 114.945 170.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.4 mtt85 -115.4 -32.98 5.43 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.786 1.634 . . . . 0.0 112.79 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -145.08 82.47 1.66 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.829 2.052 . . . . 0.0 110.119 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.24 -43.49 3.44 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 126.157 1.783 . . . . 0.0 114.171 -171.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -145.69 -3.57 0.7 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.547 1.939 . . . . 0.0 112.773 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.51 -15.75 59.8 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.329 1.852 . . . . 0.0 113.88 -167.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.99 -5.7 52.12 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.977 1.311 . . . . 0.0 113.808 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.5 m-90 -118.63 146.12 44.9 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.501 1.52 . . . . 0.0 112.419 -174.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -90.4 -39.88 12.39 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.98 0.912 . . . . 0.0 113.36 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.4 -29.14 73.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 123.687 0.66 . . . . 0.0 112.37 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -66.56 -44.66 81.71 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -82.22 -17.86 44.61 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.19 -24.58 17.45 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -131.72 -45.54 0.97 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.5 m -70.46 -7.24 41.88 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -172.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -74.79 -24.89 58.72 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.068 0.947 . . . . 0.0 112.523 173.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.14 -46.96 3.99 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.132 0.873 . . . . 0.0 113.02 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.5 m -153.18 142.63 21.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.868 1.267 . . . . 0.0 111.672 -173.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.6 mt -118.95 149.73 47.28 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.641 1.576 . . . . 0.0 110.945 171.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.67 161.18 40.01 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.729 2.953 . . . . 0.0 111.276 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -78.83 149.73 32.46 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.869 0.867 . . . . 0.0 112.123 172.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 44.6 pt -131.36 -4.0 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 126.551 1.94 . . . . 0.0 113.279 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.2 m -70.16 -9.5 55.84 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.702 -1.249 . . . . 0.0 113.903 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.1 p -85.46 -10.3 56.32 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.823 1.649 . . . . 0.0 113.918 169.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.0 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.905 1.682 . . . . 0.0 112.282 -174.755 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.338 0 N-CA-C 112.126 -0.389 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -157.81 166.82 31.71 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.228 1.811 . . . . 0.0 112.706 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.4 m -110.43 137.12 48.56 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.096 1.358 . . . . 0.0 110.502 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -102.98 159.82 15.17 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.768 1.627 . . . . 0.0 111.396 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.5 t -101.26 163.82 12.09 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.374 1.47 . . . . 0.0 108.304 166.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -58.1 -48.03 81.42 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.938 0.79 . . . . 0.0 112.008 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.65 -38.13 83.81 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.629 -0.669 . . . . 0.0 112.797 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.58 -47.2 86.36 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 123.913 0.768 . . . . 0.0 111.557 174.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.9 tp -64.29 -47.13 80.67 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.917 -1.039 . . . . 0.0 112.149 176.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.2 t -49.39 -46.17 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 119.419 1.008 . . . . 0.0 110.421 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -69.77 -42.5 73.75 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.974 0.91 . . . . 0.0 113.153 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.11 -37.84 88.77 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.417 1.087 . . . . 0.0 111.869 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.2 mt -74.02 -38.15 64.14 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.573 0.749 . . . . 0.0 112.026 174.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.84 -39.31 80.87 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 121.912 -0.493 . . . . 0.0 111.836 171.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -66.17 -31.19 71.88 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.637 1.175 . . . . 0.0 112.783 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -97.09 5.46 50.25 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.431 1.492 . . . . 0.0 114.621 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.81 37.48 6.4 Favored Glycine 0 N--CA 1.472 1.097 0 C-N-CA 124.32 0.962 . . . . 0.0 114.481 171.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -101.34 137.78 39.22 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.908 1.283 . . . . 0.0 109.503 172.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -77.23 140.49 40.11 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.551 0.74 . . . . 0.0 111.596 -173.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -64.75 -24.3 67.52 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -82.24 -15.99 51.15 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.959 0.904 . . . . 0.0 113.38 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.8 mt -98.22 -19.32 17.92 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.813 1.245 . . . . 0.0 112.283 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.1 tpp -49.43 -45.32 46.25 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.108 1.763 . . . . 0.0 113.484 -174.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -56.73 -43.97 81.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.231 1.012 . . . . 0.0 113.045 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -65.53 -47.17 76.82 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.173 0.589 . . . . 0.0 110.943 173.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -62.05 -49.02 77.64 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.518 0.727 . . . . 0.0 112.843 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 m -66.51 -36.59 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.299 0.954 . . . . 0.0 111.709 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -68.58 -38.96 81.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.727 0.694 . . . . 0.0 111.878 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.78 -52.71 63.11 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.39 1.476 . . . . 0.0 110.598 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.01 -38.69 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.574 -0.704 . . . . 0.0 112.082 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -68.79 -31.13 69.91 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.569 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -34.79 60.54 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.826 1.194 . . . . 0.0 111.651 173.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -76.98 -69.06 0.55 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.247 1.019 . . . . 0.0 111.296 -173.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.7 p -107.89 -10.91 15.45 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -175.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.4 m 68.34 28.59 6.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.689 1.595 . . . . 0.0 111.802 -168.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 67.96 34.34 4.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.375 1.87 . . . . 0.0 112.65 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -117.93 113.97 22.5 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.805 0.842 . . . . 0.0 111.804 -177.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 p -69.02 -26.57 65.06 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 122.318 -0.238 . . . . 0.0 111.441 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.0 m -73.81 -6.33 46.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.357 1.063 . . . . 0.0 113.681 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -76.08 143.34 41.39 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.218 -0.926 . . . . 0.0 112.889 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.2 p -148.75 161.49 41.67 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.177 2.191 . . . . 0.0 110.494 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -158.61 131.45 7.14 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.238 1.015 . . . . 0.0 111.755 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m -82.51 135.79 35.03 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.34 1.056 . . . . 0.0 110.178 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.408 HD22 ' ND2' ' A' ' 57' ' ' ASN . 78.4 m-20 -91.75 158.53 16.31 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.018 1.327 . . . . 0.0 111.907 178.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -63.8 -22.22 66.8 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.29 1.036 . . . . 0.0 113.429 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -93.41 8.03 42.14 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.672 1.589 . . . . 0.0 113.892 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.04 -7.23 82.01 Favored Glycine 0 N--CA 1.477 1.411 0 C-N-CA 125.311 1.434 . . . . 0.0 115.608 172.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.0 p -77.53 173.24 12.22 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.842 1.257 . . . . 0.0 111.622 169.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -130.85 164.99 23.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.686 1.194 . . . . 0.0 110.803 174.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.28 150.78 26.85 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.815 1.646 . . . . 0.0 110.315 169.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -145.77 143.02 29.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.353 1.461 . . . . 0.0 113.235 -172.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.32 -178.96 51.06 Favored Glycine 0 N--CA 1.468 0.784 0 O-C-N 121.537 -0.727 . . . . 0.0 114.812 169.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.96 -28.34 68.91 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 115.724 1.75 . . . . 0.0 115.724 -168.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -101.87 8.24 41.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.388 1.075 . . . . 0.0 111.992 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 56.94 54.28 7.22 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.012 1.725 . . . . 0.0 110.659 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.9 mt -84.5 137.2 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.276 1.83 . . . . 0.0 110.684 -169.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.408 ' ND2' HD22 ' A' ' 44' ' ' ASN . 34.5 m120 -98.02 141.28 31.17 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -172.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -67.81 -9.93 48.49 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -102.7 -3.1 27.03 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.057 1.743 . . . . 0.0 112.796 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -132.55 -39.31 1.01 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 -169.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -144.29 -40.59 0.27 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -168.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 p -104.5 167.73 9.55 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.936 0.895 . . . . 0.0 112.47 169.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.64 139.84 51.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.935 1.294 . . . . 0.0 112.253 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -100.88 -8.4 22.58 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -170.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.08 -154.55 9.68 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.409 1.004 . . . . 0.0 112.944 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.43 -1.27 26.24 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.6 p -158.79 155.87 25.7 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.178 1.391 . . . . 0.0 112.299 -171.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -71.41 159.35 51.81 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.494 2.796 . . . . 0.0 110.669 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.69 71.16 0.03 OUTLIER Glycine 0 N--CA 1.472 1.082 0 O-C-N 121.905 -0.497 . . . . 0.0 114.093 -175.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -151.82 -178.3 6.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.247 2.219 . . . . 0.0 110.649 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.2 -24.63 67.33 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.081 0.952 . . . . 0.0 113.101 175.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.84 -4.11 31.14 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.895 1.278 . . . . 0.0 114.061 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 51.32 53.0 13.66 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.09 1.756 . . . . 0.0 113.349 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.1 p -150.36 142.56 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.546 1.138 . . . . 0.0 111.326 -171.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -92.85 135.58 34.01 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.327 1.451 . . . . 0.0 111.263 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.4 m -48.1 -37.77 16.07 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.222 1.809 . . . . 0.0 114.213 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -72.25 -30.41 64.85 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.75 -20.88 64.39 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.745 -1.222 . . . . 0.0 112.281 174.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.45 -14.85 61.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.626 0.77 . . . . 0.0 112.604 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.2 mt -95.0 7.39 46.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.56 1.544 . . . . 0.0 113.1 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.4 p -78.05 176.73 8.91 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.155 1.382 . . . . 0.0 112.271 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.94 -4.04 57.75 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.605 1.562 . . . . 0.0 114.861 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -116.91 123.93 48.21 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.283 1.433 . . . . 0.0 109.253 169.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.5 pt -66.59 -14.68 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.276 1.03 . . . . 0.0 113.223 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.7 t -53.33 -35.49 60.27 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.434 1.494 . . . . 0.0 114.316 -169.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -61.87 -35.62 78.85 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.577 -0.702 . . . . 0.0 111.865 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.05 -38.35 17.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.131 1.372 . . . . 0.0 111.804 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.36 -42.03 79.77 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.436 1.094 . . . . 0.0 113.042 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -67.76 -32.71 73.49 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.746 -1.221 . . . . 0.0 112.212 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.99 -38.24 82.44 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.744 0.818 . . . . 0.0 111.101 170.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.77 88.37 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.145 0.978 . . . . 0.0 112.739 171.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -61.77 -42.41 98.95 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.343 1.429 . . . . 0.0 112.164 169.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.05 -22.51 64.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.737 0.815 . . . . 0.0 113.08 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 85.3 mt -78.13 -45.17 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.494 -0.753 . . . . 0.0 110.22 168.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -30.25 63.14 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.777 1.231 . . . . 0.0 113.464 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -58.1 -28.58 64.75 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.703 1.601 . . . . 0.0 114.171 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -98.04 -44.07 6.79 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.727 1.611 . . . . 0.0 110.891 176.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -151.16 98.68 2.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.29 2.236 . . . . 0.0 110.485 -174.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -51.86 -40.91 61.36 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -170.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -143.84 -13.4 0.65 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.062 1.345 . . . . 0.0 113.636 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.57 -13.95 62.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.84 1.256 . . . . 0.0 114.038 -172.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.23 -7.54 47.54 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.57 1.148 . . . . 0.0 113.989 174.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 -125.24 124.7 42.25 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.377 1.471 . . . . 0.0 111.164 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -71.77 -38.89 70.28 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -167.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.57 -22.1 74.92 Favored Glycine 0 N--CA 1.474 1.191 0 C-N-CA 123.886 0.755 . . . . 0.0 113.616 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -66.64 -43.55 84.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.603 1.202 . . . . 0.0 111.129 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -86.33 -15.36 40.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -98.8 -31.09 12.05 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -127.2 -42.46 1.7 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -171.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.6 m -72.38 -7.77 51.46 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -73.62 -22.89 59.87 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.992 0.917 . . . . 0.0 112.854 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.64 -33.13 31.68 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 118.769 0.713 . . . . 0.0 113.576 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 m -172.41 143.16 1.37 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 127.288 2.235 . . . . 0.0 110.378 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -110.94 149.42 40.4 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.05 1.34 . . . . 0.0 110.847 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -70.12 148.33 62.49 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.418 2.745 . . . . 0.0 110.632 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -77.3 146.91 36.53 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 122.274 1.035 . . . . 0.0 111.424 171.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.4 pt -130.39 0.81 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.826 2.05 . . . . 0.0 112.641 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.3 m -61.8 -17.89 57.88 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -173.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.1 m -85.78 -6.97 59.03 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.116 1.367 . . . . 0.0 113.837 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.724 1.61 . . . . 0.0 111.96 -176.216 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -155.4 166.48 33.42 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.755 1.622 . . . . 0.0 112.564 -173.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.7 m -109.14 134.64 51.45 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.698 1.199 . . . . 0.0 110.731 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -101.75 156.5 17.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.47 1.908 . . . . 0.0 110.527 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -95.85 161.13 14.14 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.819 1.248 . . . . 0.0 108.577 168.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.19 -45.94 79.6 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.449 1.022 . . . . 0.0 111.876 -175.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.17 -38.13 82.27 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.05 -44.55 60.54 Favored Glycine 0 N--CA 1.468 0.796 0 C-N-CA 124.058 0.837 . . . . 0.0 111.576 176.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.54 -49.81 73.84 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.15 1.38 . . . . 0.0 111.955 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.2 t -50.04 -45.15 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.859 0.863 . . . . 0.0 110.491 174.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -69.42 -43.38 73.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.223 1.009 . . . . 0.0 113.709 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.84 -38.44 90.79 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.824 1.25 . . . . 0.0 111.365 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.2 mt -74.21 -42.15 60.23 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.987 0.915 . . . . 0.0 111.993 175.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -55.68 -42.84 75.71 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.582 0.628 . . . . 0.0 111.67 172.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -63.55 -39.35 94.17 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.43 1.892 . . . . 0.0 112.258 172.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -84.94 8.9 16.0 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.322 1.449 . . . . 0.0 114.365 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.34 25.79 27.47 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.902 1.239 . . . . 0.0 115.226 169.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -87.88 139.64 30.31 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.676 1.238 . . . . 0.0 109.89 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -75.64 136.62 40.44 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.763 0.825 . . . . 0.0 111.859 -175.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.38 -27.72 67.65 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -78.94 -19.61 51.32 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.8 mt -96.9 -19.0 19.14 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.796 1.238 . . . . 0.0 112.33 175.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.6 tpp -47.95 -45.46 31.16 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.345 1.858 . . . . 0.0 113.203 -175.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -56.74 -46.95 81.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.3 1.04 . . . . 0.0 113.118 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -63.92 -44.24 93.51 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.399 0.545 . . . . 0.0 111.192 174.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -64.17 -49.18 73.07 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.574 0.749 . . . . 0.0 112.969 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 m -66.69 -33.51 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 119.224 0.92 . . . . 0.0 111.834 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.4 t -71.35 -43.21 67.39 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.408 0.549 . . . . 0.0 111.893 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -53.46 -53.92 44.41 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.494 1.517 . . . . 0.0 110.345 169.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.95 -42.37 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.762 0.825 . . . . 0.0 111.89 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -63.71 -35.12 79.52 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -85.15 -18.35 34.43 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -88.19 -61.2 1.77 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.028 0.931 . . . . 0.0 111.877 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.3 p -113.5 -8.62 13.35 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m 61.2 30.83 19.48 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.409 1.084 . . . . 0.0 112.69 -169.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 mtm-85 73.25 28.5 1.82 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.079 1.752 . . . . 0.0 112.558 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -119.92 117.5 28.26 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.492 1.517 . . . . 0.0 111.427 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.8 p -69.36 -24.76 63.93 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 119.019 -0.515 . . . . 0.0 112.287 -178.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -78.82 -4.48 49.68 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -73.1 143.08 47.5 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.995 -1.065 . . . . 0.0 112.938 -172.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.6 p -142.57 151.62 41.74 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.095 1.758 . . . . 0.0 111.826 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -145.73 131.84 19.36 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.715 1.606 . . . . 0.0 110.487 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.2 m -104.56 144.34 31.83 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.227 1.411 . . . . 0.0 110.518 -173.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -113.6 161.42 17.45 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.698 1.599 . . . . 0.0 112.403 -172.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -61.4 -25.67 67.34 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.901 1.28 . . . . 0.0 113.939 -176.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -81.01 -5.73 57.94 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.17 0.43 80.48 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.923 1.249 . . . . 0.0 114.293 -175.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.2 p -79.21 158.57 27.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.691 1.197 . . . . 0.0 111.724 170.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -136.68 148.49 47.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.685 1.194 . . . . 0.0 110.927 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -101.95 140.58 36.04 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.464 1.905 . . . . 0.0 110.207 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -138.71 150.84 46.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.975 1.31 . . . . 0.0 112.918 -169.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.12 -178.39 49.24 Favored Glycine 0 N--CA 1.468 0.823 0 O-C-N 121.449 -0.782 . . . . 0.0 113.944 171.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -24.61 67.87 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -169.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -102.06 5.35 40.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.313 1.045 . . . . 0.0 111.95 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 50.36 63.82 2.05 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.037 1.735 . . . . 0.0 111.261 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.5 mt -86.57 131.99 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.595 1.558 . . . . 0.0 109.774 -173.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -90.82 138.7 31.38 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -67.75 -13.0 61.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -86.57 -26.05 24.69 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.876 0.871 . . . . 0.0 112.635 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -115.97 -35.01 4.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.744 2.128 . . . . 0.0 116.744 -167.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -140.69 -34.04 0.53 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -167.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.3 p -111.1 163.51 13.8 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.448 1.022 . . . . 0.0 112.683 168.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.2 t -106.82 133.93 50.74 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.751 1.621 . . . . 0.0 111.886 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.96 -8.45 59.16 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 175.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.98 -160.52 18.31 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.905 1.241 . . . . 0.0 114.372 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.19 -9.15 59.49 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.261 1.024 . . . . 0.0 113.665 176.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.2 m -146.19 152.64 47.36 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.886 1.674 . . . . 0.0 111.154 -176.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -66.8 154.69 73.65 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.366 2.711 . . . . 0.0 110.487 169.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.46 69.51 0.04 OUTLIER Glycine 0 N--CA 1.473 1.11 0 N-CA-C 114.723 0.649 . . . . 0.0 114.723 -171.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -150.3 -177.46 5.96 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.058 2.143 . . . . 0.0 110.517 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -58.32 -26.06 62.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.605 1.162 . . . . 0.0 113.183 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 52.9 m -102.04 -3.26 27.94 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.081 1.352 . . . . 0.0 114.477 176.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.5 t30 51.73 54.91 10.14 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.799 1.64 . . . . 0.0 113.334 173.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.3 p -150.55 148.03 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.018 1.327 . . . . 0.0 110.813 -173.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -102.44 137.99 39.95 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.574 1.549 . . . . 0.0 111.347 -177.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 67.3 m -51.19 -37.51 47.01 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.608 1.563 . . . . 0.0 114.267 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.2 t -71.24 -32.31 68.61 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.57 -15.24 62.27 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.823 -1.173 . . . . 0.0 112.617 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.94 -13.94 60.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.803 0.841 . . . . 0.0 112.687 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.6 mt -93.98 9.87 35.78 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.449 1.5 . . . . 0.0 112.769 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.1 p -75.46 174.83 9.12 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.745 1.618 . . . . 0.0 112.135 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -88.94 8.07 31.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.785 1.234 . . . . 0.0 113.842 -173.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -132.33 125.92 32.07 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.877 1.671 . . . . 0.0 107.854 168.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.9 pt -66.03 -12.54 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 124.934 1.294 . . . . 0.0 113.389 -173.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -53.91 -35.44 61.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.002 1.721 . . . . 0.0 114.728 -169.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -63.47 -34.75 78.46 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.302 0.956 . . . . 0.0 112.221 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.81 -39.41 20.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.551 1.14 . . . . 0.0 111.317 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.5 87.92 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.19 0.996 . . . . 0.0 113.474 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -68.12 -34.12 75.79 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.955 -1.091 . . . . 0.0 112.371 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.2 t -67.38 -39.21 85.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.598 0.759 . . . . 0.0 111.074 170.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.62 76.0 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.12 0.968 . . . . 0.0 112.733 172.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -64.35 -44.02 92.78 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.454 1.479 . . . . 0.0 112.677 170.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -66.39 -24.71 66.52 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.554 -0.716 . . . . 0.0 112.719 176.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 91.2 mt -74.47 -49.1 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.655 -0.653 . . . . 0.0 110.083 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -30.36 63.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.745 1.218 . . . . 0.0 113.671 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -56.5 -26.5 54.63 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.928 1.691 . . . . 0.0 114.387 169.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -110.48 -33.86 6.48 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.394 1.878 . . . . 0.0 112.272 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -152.31 86.95 1.3 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.774 2.43 . . . . 0.0 110.398 -173.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -49.25 -42.42 40.66 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -170.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -140.09 -4.31 1.35 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.271 1.428 . . . . 0.0 112.793 169.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -12.65 60.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.358 1.863 . . . . 0.0 114.102 -168.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.31 -8.06 59.68 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.548 1.139 . . . . 0.0 113.578 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.9 m-90 -119.35 117.84 29.6 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.535 1.134 . . . . 0.0 113.297 -171.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -63.74 -35.1 79.48 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.267 1.827 . . . . 0.0 112.104 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.33 -16.89 67.74 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.424 1.488 . . . . 0.0 112.841 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -94.65 -47.55 6.46 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.268 1.027 . . . . 0.0 112.488 171.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -70.62 -17.31 62.89 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -98.77 -8.04 26.6 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -137.75 -39.92 0.56 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -170.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.5 m -76.88 -1.64 29.43 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -176.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -84.64 -21.53 30.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.32 1.048 . . . . 0.0 112.795 -174.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.23 -52.55 1.72 Allowed Glycine 0 N--CA 1.471 1.023 0 C-N-CA 124.585 1.088 . . . . 0.0 112.637 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.0 m -153.36 150.65 29.08 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.402 1.481 . . . . 0.0 111.471 -173.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.3 mt -118.93 152.68 52.06 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.345 1.458 . . . . 0.0 111.828 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -68.93 148.61 70.79 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.782 2.988 . . . . 0.0 110.701 173.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -78.88 149.55 32.41 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 122.399 1.095 . . . . 0.0 111.855 172.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.4 pt -133.19 1.05 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 127.094 2.158 . . . . 0.0 112.765 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.4 m -63.66 -12.39 33.52 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -173.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.6 p -88.63 -9.95 50.35 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.065 1.746 . . . . 0.0 114.108 172.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.2 m . . . . . 0 C--O 1.251 1.159 0 C-N-CA 126.078 1.751 . . . . 0.0 112.354 -175.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.079 0 CA-C-O 121.333 0.407 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.41 165.93 34.9 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.131 1.773 . . . . 0.0 112.418 -172.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m -114.74 132.51 56.41 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.691 1.197 . . . . 0.0 110.763 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.68 160.41 14.33 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.679 1.592 . . . . 0.0 111.628 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 t -101.05 165.16 11.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.418 1.487 . . . . 0.0 108.458 166.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -58.18 -49.56 76.6 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.204 0.911 . . . . 0.0 112.033 -173.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.52 -38.03 83.07 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.39 -48.17 81.05 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 123.96 0.79 . . . . 0.0 111.476 174.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.45 -47.22 79.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.336 1.054 . . . . 0.0 112.325 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.0 t -49.59 -46.46 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.302 0.955 . . . . 0.0 110.305 174.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -69.68 -41.0 76.05 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.031 0.932 . . . . 0.0 113.103 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.12 -42.68 99.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.245 1.018 . . . . 0.0 111.13 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.2 mt -71.97 -37.68 69.85 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.893 0.877 . . . . 0.0 112.123 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -58.95 -42.64 90.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.3 0.64 . . . . 0.0 111.99 172.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -66.3 -34.87 78.97 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.594 0.758 . . . . 0.0 112.321 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -85.37 -1.4 56.97 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.19 18.71 18.71 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.122 1.344 . . . . 0.0 115.383 169.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -77.76 161.18 27.89 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.754 1.277 . . . . 0.0 112.17 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -82.92 125.07 30.96 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.659 1.583 . . . . 0.0 110.319 -172.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -66.7 -22.79 66.07 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -85.16 -14.21 47.67 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.159 0.983 . . . . 0.0 113.581 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.77 -9.24 19.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.306 1.042 . . . . 0.0 113.208 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.5 tpp -48.73 -43.16 37.17 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.087 1.355 . . . . 0.0 113.155 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -55.33 -51.27 67.28 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.378 1.071 . . . . 0.0 112.692 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -61.93 -42.09 98.7 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.426 0.691 . . . . 0.0 111.625 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -63.75 -50.87 67.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.451 0.7 . . . . 0.0 112.394 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.6 m -66.91 -34.47 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.016 0.825 . . . . 0.0 111.728 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.21 -34.63 71.03 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.854 0.686 . . . . 0.0 112.854 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.67 -55.18 25.44 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.9 1.68 . . . . 0.0 109.849 169.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -62.13 -40.9 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.705 0.802 . . . . 0.0 112.038 -175.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.12 -41.77 99.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.925 0.49 . . . . 0.0 112.226 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.14 -32.64 69.23 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.794 -1.191 . . . . 0.0 113.249 175.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -77.75 -61.94 1.83 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.736 0.815 . . . . 0.0 112.077 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 97.3 p -113.86 -6.24 13.23 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -175.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.8 m 64.38 26.24 13.53 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.889 1.276 . . . . 0.0 112.366 -168.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 66.38 33.11 7.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.926 1.69 . . . . 0.0 112.774 -176.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -114.05 116.24 28.86 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.917 1.287 . . . . 0.0 111.089 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -69.99 -25.98 63.86 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 119.122 -0.466 . . . . 0.0 112.054 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -76.62 -3.04 35.64 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.362 0.983 . . . . 0.0 113.331 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -75.11 144.03 43.07 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.169 0.988 . . . . 0.0 112.884 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.4 p -146.05 159.69 42.92 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.946 2.098 . . . . 0.0 110.862 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -153.66 128.97 9.79 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.637 0.775 . . . . 0.0 111.88 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -88.37 143.1 27.21 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.372 1.469 . . . . 0.0 110.946 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -104.12 159.6 15.54 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.875 1.27 . . . . 0.0 112.019 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -57.35 -31.03 65.33 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.71 1.204 . . . . 0.0 114.111 175.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -68.51 -17.06 64.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.477 1.911 . . . . 0.0 114.455 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.34 -1.25 69.4 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.952 1.263 . . . . 0.0 114.173 -173.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.2 p -77.84 168.04 20.56 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.582 1.553 . . . . 0.0 111.041 169.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -146.21 145.87 30.59 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.292 1.037 . . . . 0.0 111.655 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.71 150.31 20.51 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.605 1.562 . . . . 0.0 111.129 172.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -144.8 147.78 33.28 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.207 1.803 . . . . 0.0 112.957 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.51 -177.86 52.39 Favored Glycine 0 N--CA 1.467 0.762 0 CA-C-O 122.241 0.912 . . . . 0.0 115.114 169.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -27.88 69.6 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -169.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.17 9.54 41.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.03 0.932 . . . . 0.0 111.456 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 54.41 54.74 8.97 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.356 1.462 . . . . 0.0 110.318 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.4 mt -84.47 129.18 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.43 1.492 . . . . 0.0 110.085 -169.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -94.05 137.38 33.32 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -170.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -66.32 -12.55 57.24 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -176.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -85.81 -15.93 40.38 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.8 1.24 . . . . 0.0 113.006 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -132.9 -34.17 1.13 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -166.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -136.67 -41.95 0.61 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -167.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.5 p -106.37 165.49 11.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.876 0.87 . . . . 0.0 112.141 168.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -116.93 137.57 52.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.542 1.137 . . . . 0.0 112.544 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.83 -8.09 56.37 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -173.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.8 -164.8 16.46 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.603 1.097 . . . . 0.0 113.098 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.47 -8.75 58.87 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m -140.68 153.13 67.64 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 126.133 1.773 . . . . 0.0 110.961 -176.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -69.89 162.5 41.91 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.66 2.907 . . . . 0.0 111.313 173.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.16 72.51 0.03 OUTLIER Glycine 0 N--CA 1.473 1.151 0 N-CA-C 114.393 0.517 . . . . 0.0 114.393 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -153.2 -178.03 6.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.361 2.264 . . . . 0.0 110.578 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.38 -23.06 66.6 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.261 1.025 . . . . 0.0 113.12 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.7 m -101.9 -1.96 30.91 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 173.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.4 t30 52.18 53.93 11.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.992 1.717 . . . . 0.0 113.209 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.3 p -149.79 148.95 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.633 1.173 . . . . 0.0 111.447 -172.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -102.37 134.78 45.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.121 1.769 . . . . 0.0 111.37 -175.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.7 m -51.15 -37.41 46.12 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.523 1.529 . . . . 0.0 113.873 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -71.76 -32.57 67.82 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -73.83 -7.77 53.5 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.753 -1.217 . . . . 0.0 112.398 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.7 mt -81.23 -14.22 57.71 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.417 -0.802 . . . . 0.0 112.648 169.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.4 mt -95.06 6.12 49.97 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.122 1.369 . . . . 0.0 113.382 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 t -79.43 -179.52 6.85 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.611 1.564 . . . . 0.0 112.134 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -91.95 11.34 25.42 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.704 1.601 . . . . 0.0 113.726 -170.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -133.81 125.79 29.2 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.287 1.835 . . . . 0.0 108.352 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.6 pt -69.09 -14.89 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.242 1.017 . . . . 0.0 113.173 -175.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.6 t -54.94 -34.25 63.03 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.0 1.32 . . . . 0.0 114.005 -169.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.62 -35.45 79.61 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.274 -0.891 . . . . 0.0 112.161 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.64 -38.74 21.14 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.348 1.059 . . . . 0.0 111.483 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.34 78.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.276 1.031 . . . . 0.0 113.286 -175.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -67.02 -35.14 79.26 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.87 -1.144 . . . . 0.0 112.228 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.9 t -66.68 -38.96 87.86 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.849 0.86 . . . . 0.0 110.984 172.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.23 77.34 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.128 0.971 . . . . 0.0 112.69 173.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -63.44 -43.85 96.22 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.053 1.297 . . . . 0.0 112.202 171.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -68.56 -21.72 64.52 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.41 -0.806 . . . . 0.0 113.066 176.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 90.9 mt -76.24 -46.0 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.131 -0.98 . . . . 0.0 110.202 168.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -30.57 64.06 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.519 1.128 . . . . 0.0 113.382 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -58.75 -28.31 65.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.643 1.577 . . . . 0.0 114.29 169.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -97.22 -43.96 7.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.5 1.52 . . . . 0.0 110.967 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -151.49 99.93 2.67 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.179 2.191 . . . . 0.0 110.386 -175.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -51.11 -41.04 59.77 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -170.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -142.18 -15.67 0.77 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.766 1.226 . . . . 0.0 113.733 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.01 -13.39 61.6 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -171.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.52 -11.2 60.77 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.16 0.984 . . . . 0.0 113.55 170.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 24.6 m-90 -118.67 110.46 17.33 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.581 1.552 . . . . 0.0 111.485 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -54.29 -37.22 64.53 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.263 -1.335 . . . . 0.0 112.588 169.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -70.06 -8.73 62.06 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.64 1.114 . . . . 0.0 114.537 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -84.6 -61.26 1.83 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.136 1.468 . . . . 0.0 109.354 167.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -66.22 -9.76 35.3 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -70.79 -31.38 68.12 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.255 -0.903 . . . . 0.0 112.923 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.96 -18.17 0.12 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 118.208 2.67 . . . . 0.0 118.208 -168.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 98.7 m -71.4 -32.39 68.36 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.268 1.395 . . . . 0.0 113.288 -172.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -74.25 -11.24 60.22 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.297 1.439 . . . . 0.0 113.581 170.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.26 -48.33 4.86 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.705 1.145 . . . . 0.0 111.506 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 t -166.5 148.67 6.63 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.878 1.271 . . . . 0.0 112.08 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.8 mt -114.76 150.37 43.93 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 125.658 1.583 . . . . 0.0 111.833 174.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -72.46 156.75 53.99 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.87 3.046 . . . . 0.0 111.396 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -79.13 139.32 38.07 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.741 0.816 . . . . 0.0 111.332 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 41.6 pt -128.39 -1.3 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.2 1.8 . . . . 0.0 113.044 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.4 p -66.46 -14.49 62.3 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -172.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 55.6 m -83.88 -7.28 59.47 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.961 1.304 . . . . 0.0 113.819 170.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.688 1.595 . . . . 0.0 112.01 -176.177 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -159.27 -179.83 8.33 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.085 2.154 . . . . 0.0 111.741 -172.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.8 m -139.62 142.03 37.07 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.544 1.138 . . . . 0.0 111.148 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -114.59 158.52 21.59 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.809 1.643 . . . . 0.0 112.032 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 t -102.99 163.24 12.32 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.609 1.564 . . . . 0.0 107.875 166.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -57.5 -45.34 85.04 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.285 0.948 . . . . 0.0 111.901 -174.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.9 m -62.36 -28.65 69.91 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.19 -48.47 9.57 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 124.373 0.987 . . . . 0.0 111.279 173.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.25 -47.65 83.45 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.538 1.135 . . . . 0.0 112.232 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -50.76 -44.95 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.155 0.889 . . . . 0.0 110.576 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -69.71 -43.69 71.89 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.168 0.987 . . . . 0.0 113.122 177.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.0 -42.01 93.34 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.718 1.207 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt -73.61 -40.96 63.44 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.152 0.981 . . . . 0.0 112.194 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -55.6 -40.57 72.25 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.953 0.501 . . . . 0.0 111.773 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -72.41 -25.77 61.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.45 1.1 . . . . 0.0 113.38 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -93.04 2.42 56.78 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.298 1.439 . . . . 0.0 114.348 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.12 33.32 7.34 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 124.604 1.097 . . . . 0.0 114.349 172.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -90.83 146.83 23.61 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.263 1.032 . . . . 0.0 111.327 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -72.11 122.72 21.46 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.949 1.7 . . . . 0.0 110.487 -174.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.99 -26.46 68.86 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -174.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -81.76 -17.01 49.19 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.061 0.944 . . . . 0.0 113.519 174.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -97.84 -11.72 22.96 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.355 1.062 . . . . 0.0 113.122 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -48.21 -42.67 30.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.536 1.534 . . . . 0.0 113.201 -174.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -55.33 -51.04 68.03 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.247 1.019 . . . . 0.0 112.675 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -63.17 -41.22 99.2 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.494 0.718 . . . . 0.0 111.448 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -64.44 -50.23 68.35 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.34 0.656 . . . . 0.0 112.588 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 m -67.42 -33.51 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 119.1 0.864 . . . . 0.0 111.821 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -71.71 -35.35 70.17 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.656 0.662 . . . . 0.0 112.702 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tt -61.86 -55.7 27.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.794 1.638 . . . . 0.0 109.673 169.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.69 -42.83 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.896 0.878 . . . . 0.0 111.946 -176.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -62.41 -38.77 90.97 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -77.64 -25.19 49.52 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.696 -1.252 . . . . 0.0 113.568 176.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -81.86 -55.57 4.52 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.564 0.746 . . . . 0.0 112.001 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -119.77 -4.53 10.21 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.864 -1.148 . . . . 0.0 113.871 -172.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 m 60.17 19.07 8.41 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.992 1.317 . . . . 0.0 113.005 -169.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 69.51 32.74 3.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.573 1.949 . . . . 0.0 113.187 -172.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -110.54 118.47 36.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.952 1.301 . . . . 0.0 109.565 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -66.88 -28.66 68.51 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 121.555 -0.715 . . . . 0.0 111.771 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 m -72.2 -8.24 53.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.903 1.281 . . . . 0.0 114.287 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -76.64 140.23 40.89 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.999 -1.063 . . . . 0.0 113.044 -171.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.2 p -136.52 158.21 44.97 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.802 1.641 . . . . 0.0 111.729 172.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -146.74 126.92 13.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.28 1.432 . . . . 0.0 110.709 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -93.67 137.91 32.44 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.729 1.212 . . . . 0.0 110.058 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -98.49 157.77 16.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.528 1.531 . . . . 0.0 111.781 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -63.02 -23.35 67.41 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.366 1.066 . . . . 0.0 113.239 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -85.59 3.25 41.53 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.659 1.584 . . . . 0.0 113.701 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.52 -1.89 84.34 Favored Glycine 0 N--CA 1.475 1.252 0 C-N-CA 125.367 1.461 . . . . 0.0 115.677 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.5 p -87.04 163.38 17.07 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.621 1.211 . . . . 0.0 111.741 171.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -129.05 149.2 50.97 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.51 1.124 . . . . 0.0 111.228 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -101.29 142.17 33.09 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.355 1.862 . . . . 0.0 109.854 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -139.81 146.89 39.99 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.75 1.22 . . . . 0.0 113.555 -169.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.55 -176.79 52.07 Favored Glycine 0 N--CA 1.469 0.894 0 O-C-N 121.613 -0.679 . . . . 0.0 114.276 170.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.15 -23.29 67.26 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -169.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -103.5 6.2 37.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.44 1.096 . . . . 0.0 112.006 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 50.95 59.4 4.64 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.702 1.601 . . . . 0.0 111.642 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.0 mt -85.17 135.53 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.523 1.529 . . . . 0.0 109.481 -173.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -97.11 138.71 34.2 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -169.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.12 -11.1 36.27 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -102.03 -3.94 26.84 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.413 1.485 . . . . 0.0 112.759 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -126.22 -44.68 1.72 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -142.98 -28.56 0.56 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -168.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.3 p -113.79 166.4 11.6 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.29 1.036 . . . . 0.0 112.856 169.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -110.05 131.01 55.44 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.903 1.681 . . . . 0.0 112.225 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -85.45 -10.42 56.16 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.87 -157.86 17.72 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.481 1.038 . . . . 0.0 113.266 -170.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.17 1.06 29.69 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 t -160.74 145.36 10.57 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.784 1.234 . . . . 0.0 111.312 -171.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -66.19 155.83 67.84 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 123.374 2.716 . . . . 0.0 111.063 171.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 167.82 74.92 0.03 OUTLIER Glycine 0 N--CA 1.472 1.065 0 O-C-N 121.896 -0.502 . . . . 0.0 113.701 -172.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -154.57 176.95 11.75 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.16 2.184 . . . . 0.0 110.641 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.93 -21.1 60.68 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.692 1.197 . . . . 0.0 113.497 171.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.6 m -106.49 -2.46 21.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.01 1.324 . . . . 0.0 113.927 174.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.0 t30 52.2 53.72 11.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.047 1.739 . . . . 0.0 113.294 171.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.73 143.76 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.554 1.142 . . . . 0.0 111.604 -171.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -96.31 135.73 37.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.912 1.685 . . . . 0.0 111.097 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.1 m -49.2 -36.85 20.91 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.054 1.742 . . . . 0.0 113.944 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.1 t -69.54 -32.59 71.49 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -71.63 -10.06 59.19 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.625 -1.297 . . . . 0.0 112.719 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.75 -14.29 54.77 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.522 -0.736 . . . . 0.0 112.365 173.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.4 mt -95.55 9.89 38.56 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.614 1.566 . . . . 0.0 113.223 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 t -90.66 -171.16 2.95 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.707 1.603 . . . . 0.0 112.877 -169.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -90.55 4.43 51.22 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.45 1.9 . . . . 0.0 115.206 -172.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -135.2 124.6 24.82 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.896 1.678 . . . . 0.0 109.327 169.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.1 pt -70.04 -14.4 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.973 1.309 . . . . 0.0 113.118 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.8 t -54.46 -33.0 58.81 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.643 1.577 . . . . 0.0 114.073 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.95 -34.44 77.5 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.446 0.698 . . . . 0.0 112.218 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.99 -38.02 16.99 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.786 1.234 . . . . 0.0 111.556 174.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.41 -40.78 77.12 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.899 0.879 . . . . 0.0 113.239 -176.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -70.71 -31.52 68.42 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.564 -1.335 . . . . 0.0 112.458 174.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.5 t -65.55 -39.96 92.32 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.615 0.766 . . . . 0.0 110.782 169.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.7 83.4 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.269 1.028 . . . . 0.0 112.89 173.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -63.64 -41.04 98.28 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.489 1.495 . . . . 0.0 112.468 170.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -68.09 -22.91 64.89 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.595 0.758 . . . . 0.0 112.935 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 93.3 mt -76.74 -49.3 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.826 0.85 . . . . 0.0 109.798 168.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -28.18 62.29 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.045 1.338 . . . . 0.0 114.038 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -58.08 -24.32 58.12 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.031 2.133 . . . . 0.0 114.212 171.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -116.05 -33.92 4.89 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.014 1.726 . . . . 0.0 112.745 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -144.23 81.62 1.68 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.855 2.062 . . . . 0.0 110.16 -174.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -45.57 3.75 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.03 1.732 . . . . 0.0 114.132 -170.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -142.61 -3.47 1.02 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.142 1.777 . . . . 0.0 112.758 171.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.95 -15.9 61.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.202 1.801 . . . . 0.0 113.752 -167.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.96 -8.85 58.68 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.995 1.318 . . . . 0.0 113.455 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 24.0 m-90 -119.81 117.77 29.04 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.913 1.285 . . . . 0.0 113.014 -173.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -58.37 -39.69 80.27 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.136 1.375 . . . . 0.0 112.028 169.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.01 -6.53 45.99 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.902 1.239 . . . . 0.0 114.547 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -92.73 -65.84 0.97 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.582 1.191 . . . . 0.0 109.26 167.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -58.4 -27.56 64.39 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -172.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -69.44 -20.45 63.77 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.99 -21.96 0.21 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 -174.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 86.9 m -68.87 -19.61 64.24 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.05 -17.58 60.46 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 173.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -92.42 -54.59 1.8 Allowed Glycine 0 C--N 1.342 0.891 0 C-N-CA 124.818 1.199 . . . . 0.0 111.895 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -153.0 140.8 20.06 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.427 1.091 . . . . 0.0 112.034 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 98.3 mt -115.21 149.74 43.19 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.269 1.428 . . . . 0.0 111.124 169.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.11 159.92 43.5 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.851 3.034 . . . . 0.0 111.286 176.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -79.32 149.23 31.82 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.903 0.858 . . . . 0.0 112.129 172.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.6 pt -132.1 -3.89 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.628 1.971 . . . . 0.0 113.285 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.6 m -69.94 -9.0 53.48 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.712 -1.242 . . . . 0.0 113.958 -175.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 p -85.01 -10.42 57.01 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.778 1.631 . . . . 0.0 113.806 169.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.1 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.958 1.703 . . . . 0.0 112.271 -175.137 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 N-CA-C 112.372 -0.291 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -159.87 162.8 34.69 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.514 1.926 . . . . 0.0 112.346 -173.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 m -111.06 132.19 54.45 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.533 1.133 . . . . 0.0 110.679 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -97.15 154.94 17.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.168 1.787 . . . . 0.0 110.628 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 t -92.39 161.78 14.52 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.558 1.143 . . . . 0.0 108.734 168.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.82 -47.23 80.77 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.405 1.002 . . . . 0.0 111.906 -174.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.08 -39.16 88.84 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.542 -0.724 . . . . 0.0 112.754 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.34 -44.44 93.46 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 123.849 0.737 . . . . 0.0 111.686 175.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.74 -49.31 73.54 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.076 1.35 . . . . 0.0 111.964 175.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.08 -46.01 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.901 0.88 . . . . 0.0 110.445 173.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -69.55 -43.26 73.3 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.11 0.964 . . . . 0.0 113.431 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.04 -39.3 94.33 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.332 1.053 . . . . 0.0 111.248 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.96 -38.39 64.23 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.701 0.8 . . . . 0.0 112.169 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -58.16 -39.7 79.53 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.845 -0.534 . . . . 0.0 111.929 172.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -66.64 -34.76 78.58 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.958 0.903 . . . . 0.0 112.503 172.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.05 5.65 48.04 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.119 1.368 . . . . 0.0 114.476 -174.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.82 34.69 7.16 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 124.412 1.006 . . . . 0.0 114.572 170.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -98.96 136.73 38.52 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.931 1.293 . . . . 0.0 109.299 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -77.11 139.44 39.97 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.31 0.644 . . . . 0.0 111.987 -172.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.38 -26.65 67.98 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -177.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -82.39 -16.87 47.53 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -97.67 -17.99 19.13 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.72 1.208 . . . . 0.0 112.325 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.2 tpp -49.21 -44.57 43.35 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.997 1.719 . . . . 0.0 113.244 -174.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -56.82 -46.27 81.75 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.247 1.019 . . . . 0.0 113.018 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -63.93 -44.59 92.41 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.212 0.605 . . . . 0.0 111.268 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -64.58 -49.51 70.89 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.437 0.695 . . . . 0.0 112.769 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -66.27 -34.33 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.358 0.981 . . . . 0.0 111.908 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -70.47 -43.64 69.38 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.76 0.709 . . . . 0.0 111.498 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -54.99 -53.01 61.16 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.95 1.3 . . . . 0.0 110.36 170.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.13 -40.4 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.559 0.744 . . . . 0.0 112.059 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.85 -40.36 97.22 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 175.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -83.36 -16.25 46.75 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -91.93 -57.1 2.84 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.31 1.044 . . . . 0.0 111.795 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 m -126.27 4.79 7.03 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -170.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 m 60.96 22.65 12.83 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.462 1.505 . . . . 0.0 114.025 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtm-85 68.1 25.37 7.46 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.71 1.604 . . . . 0.0 113.032 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -118.05 118.48 32.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.175 1.79 . . . . 0.0 111.166 -176.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -68.27 -25.38 65.13 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -75.13 -8.34 56.29 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -74.29 136.76 42.62 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 120.971 -1.08 . . . . 0.0 113.086 -172.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.5 p -139.59 155.19 47.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.865 2.066 . . . . 0.0 111.518 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -149.59 129.08 13.03 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.998 1.319 . . . . 0.0 111.62 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 m -89.2 144.17 26.3 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.977 1.311 . . . . 0.0 110.512 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -108.87 159.24 16.95 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.797 1.639 . . . . 0.0 111.931 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -62.27 -23.55 66.77 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.485 1.114 . . . . 0.0 113.371 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -77.75 -6.87 55.49 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.493 1.517 . . . . 0.0 113.998 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.3 -2.88 83.8 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.412 1.482 . . . . 0.0 114.546 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.3 p -83.75 162.84 20.53 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.939 1.296 . . . . 0.0 111.627 170.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -128.4 152.02 48.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.778 1.231 . . . . 0.0 110.933 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -100.65 143.16 31.14 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.76 2.024 . . . . 0.0 109.715 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -141.84 147.94 38.02 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.681 1.192 . . . . 0.0 112.992 -170.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.12 -176.9 49.14 Favored Glycine 0 CA--C 1.526 0.721 0 O-C-N 121.766 -0.584 . . . . 0.0 113.783 172.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -13.12 61.02 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 117.006 2.225 . . . . 0.0 117.006 -168.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -115.23 15.87 16.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.808 1.243 . . . . 0.0 111.551 176.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 44.5 57.13 4.6 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.132 1.773 . . . . 0.0 111.942 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.6 mt -83.1 130.95 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.415 1.086 . . . . 0.0 109.94 -171.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -93.29 138.3 31.79 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -170.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.39 -11.7 52.92 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -82.89 -18.48 40.09 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.023 0.929 . . . . 0.0 112.798 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -130.61 -59.63 1.01 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -167.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -102.16 -50.82 3.53 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -166.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.12 162.92 12.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.174 1.39 . . . . 0.0 112.439 170.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.4 t -108.74 134.94 50.78 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.61 1.964 . . . . 0.0 112.184 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -86.31 -10.91 53.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.14 -158.94 14.17 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 124.426 1.012 . . . . 0.0 114.14 -169.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.04 0.4 36.0 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.7 t -158.25 145.9 13.59 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.949 1.3 . . . . 0.0 111.209 -174.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -63.72 143.63 87.15 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.125 2.55 . . . . 0.0 110.197 169.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.98 34.7 0.03 OUTLIER Glycine 0 N--CA 1.475 1.262 0 N-CA-C 116.008 1.163 . . . . 0.0 116.008 -169.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -121.47 -173.56 2.66 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.038 1.735 . . . . 0.0 110.223 175.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.24 -28.64 63.1 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -168.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.57 7.65 35.19 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.5 t30 56.46 47.97 17.74 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.711 1.604 . . . . 0.0 112.648 170.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.7 p -150.9 143.63 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.563 1.545 . . . . 0.0 110.027 -170.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -96.25 137.27 35.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.852 1.261 . . . . 0.0 111.376 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.5 m -48.84 -36.6 17.26 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.266 1.826 . . . . 0.0 114.385 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -70.79 -31.65 68.49 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -70.39 -15.81 62.89 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.73 -1.232 . . . . 0.0 112.713 175.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.21 -13.57 59.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.103 0.961 . . . . 0.0 112.338 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 mt -94.9 10.67 34.53 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.678 1.591 . . . . 0.0 112.89 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p -87.87 -171.13 3.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.149 1.38 . . . . 0.0 112.555 -173.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -90.7 1.35 56.92 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.737 2.015 . . . . 0.0 115.092 -173.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -132.54 122.68 25.19 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.086 1.354 . . . . 0.0 109.407 169.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.6 pt -66.35 -13.5 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.915 1.686 . . . . 0.0 113.38 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.8 t -53.07 -34.13 55.12 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.94 1.696 . . . . 0.0 114.486 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -63.83 -34.17 77.32 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.658 -0.651 . . . . 0.0 111.925 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.78 -40.01 15.39 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.092 1.357 . . . . 0.0 111.335 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.76 88.93 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.16 0.984 . . . . 0.0 112.963 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.39 -33.41 74.2 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.033 -1.042 . . . . 0.0 112.616 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 36.7 t -66.2 -40.33 90.3 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.964 0.906 . . . . 0.0 110.967 171.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.1 82.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.562 1.145 . . . . 0.0 113.088 173.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -60.42 -42.5 96.14 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.444 1.475 . . . . 0.0 112.415 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -68.08 -20.61 64.96 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 87.1 mt -81.08 -43.78 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.372 -0.83 . . . . 0.0 111.056 169.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -30.05 67.98 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.235 -0.916 . . . . 0.0 112.701 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -57.77 -20.28 33.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.559 1.543 . . . . 0.0 114.954 169.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -114.74 -32.7 5.74 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.503 1.521 . . . . 0.0 112.879 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -134.63 -3.97 2.59 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -169.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . 0.318 0.0 OUTLIER 43.82 -56.18 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 131.234 3.814 . . . . 0.0 117.407 -168.074 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -142.73 -9.22 0.82 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.459 1.903 . . . . 0.0 113.501 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.98 -12.65 60.0 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.063 1.345 . . . . 0.0 114.05 -171.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.35 -6.86 46.32 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.237 1.015 . . . . 0.0 113.469 173.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -123.47 142.67 50.77 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.856 1.663 . . . . 0.0 111.647 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -85.38 -39.02 18.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -170.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.52 -29.39 75.02 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.034 0.826 . . . . 0.0 113.109 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -62.96 -40.35 97.41 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 117.979 0.89 . . . . 0.0 113.041 175.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -94.95 -15.17 23.8 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -98.23 -22.1 16.33 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.6 1.16 . . . . 0.0 113.98 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -133.03 -47.17 0.85 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.6 m -70.3 -8.1 47.67 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 -170.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -74.6 -20.97 59.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.869 0.867 . . . . 0.0 112.913 174.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.73 -35.55 28.14 Favored Glycine 0 C--N 1.344 1.023 0 CA-C-N 118.762 0.71 . . . . 0.0 113.314 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -174.12 148.4 1.34 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.628 2.371 . . . . 0.0 110.391 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.4 mt -110.67 148.28 38.19 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.057 1.343 . . . . 0.0 110.71 170.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -71.91 150.5 55.31 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.393 2.729 . . . . 0.0 110.749 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -77.34 147.64 36.04 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 122.247 1.023 . . . . 0.0 111.457 170.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.3 pt -131.81 0.7 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.907 2.083 . . . . 0.0 112.626 -178.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 m -63.67 -13.02 38.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -173.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.3 p -89.06 -10.37 47.69 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.923 1.689 . . . . 0.0 114.13 172.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.9 m . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.077 1.751 . . . . 0.0 112.24 -176.279 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.54 165.76 31.25 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.752 2.021 . . . . 0.0 113.117 -178.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 m -99.98 148.71 24.21 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.987 1.715 . . . . 0.0 109.722 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -114.19 154.1 28.45 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.434 1.894 . . . . 0.0 110.095 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 t -94.44 161.77 14.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.822 1.249 . . . . 0.0 108.988 169.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -56.52 -47.53 79.16 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.28 0.945 . . . . 0.0 111.766 -175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -60.28 -37.72 81.38 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.81 -45.95 62.54 Favored Glycine 0 C--N 1.339 0.718 0 C-N-CA 124.141 0.877 . . . . 0.0 111.601 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.12 -49.75 74.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.149 1.38 . . . . 0.0 111.792 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -50.3 -45.87 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.886 0.874 . . . . 0.0 110.568 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -68.89 -43.41 75.33 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -61.94 -42.5 99.18 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.414 1.086 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.68 -40.46 69.58 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.984 0.914 . . . . 0.0 112.199 177.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -56.44 -40.48 74.86 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.321 0.509 . . . . 0.0 111.81 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.71 -28.7 63.87 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.099 0.96 . . . . 0.0 113.141 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.25 4.87 51.22 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.292 1.437 . . . . 0.0 114.317 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.83 32.27 8.11 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 124.564 1.078 . . . . 0.0 114.675 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -96.88 136.86 36.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.716 1.206 . . . . 0.0 109.458 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -72.18 134.14 45.52 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.621 0.768 . . . . 0.0 111.639 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.23 -24.98 65.28 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -78.85 -21.31 47.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.285 1.434 . . . . 0.0 112.504 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.6 mt -99.55 -13.24 19.53 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.992 1.317 . . . . 0.0 112.809 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.2 tpp -51.11 -43.75 61.16 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.4 1.48 . . . . 0.0 112.916 -174.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -54.44 -49.41 70.08 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.093 0.957 . . . . 0.0 112.375 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -61.9 -46.74 88.07 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.714 0.805 . . . . 0.0 110.669 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -63.26 -49.62 73.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.794 0.838 . . . . 0.0 112.368 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 m -67.13 -35.52 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.215 0.916 . . . . 0.0 111.839 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.13 -32.87 67.33 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.957 0.799 . . . . 0.0 112.804 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.31 -55.25 22.59 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.931 1.692 . . . . 0.0 109.496 169.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.9 t -59.77 -39.15 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.05 0.94 . . . . 0.0 112.055 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.92 -19.24 64.96 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -95.64 -36.45 11.22 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.639 1.109 . . . . 0.0 112.368 172.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -74.22 -57.39 3.99 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.174 0.59 . . . . 0.0 111.314 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -112.8 -8.85 13.72 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.14 -0.975 . . . . 0.0 113.381 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m 63.52 24.85 14.22 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.81 1.244 . . . . 0.0 112.786 -169.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 71.27 28.74 2.94 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.626 1.57 . . . . 0.0 112.538 -174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -118.55 115.07 23.82 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.9 1.28 . . . . 0.0 112.216 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.1 p -64.91 -25.69 67.99 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.8 m -79.5 -5.68 55.34 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -74.44 140.41 44.63 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.875 -1.141 . . . . 0.0 113.034 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.5 p -137.75 156.15 48.28 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.005 1.722 . . . . 0.0 111.988 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -148.0 131.96 17.18 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.011 1.324 . . . . 0.0 111.413 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 m -88.18 144.23 26.58 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.717 1.207 . . . . 0.0 110.054 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -103.46 157.3 17.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.449 1.499 . . . . 0.0 111.81 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -63.45 -22.37 66.85 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.267 1.027 . . . . 0.0 113.13 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -81.8 -0.62 44.13 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.651 1.58 . . . . 0.0 113.666 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.33 -2.11 84.82 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.567 1.556 . . . . 0.0 115.325 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.5 p -86.99 164.65 16.38 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.293 1.437 . . . . 0.0 111.71 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -127.62 150.93 49.51 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.86 -1.15 . . . . 0.0 111.361 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -104.45 143.41 33.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.782 2.033 . . . . 0.0 110.164 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -141.22 150.09 42.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.036 1.334 . . . . 0.0 113.2 -170.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.52 -176.25 50.61 Favored Glycine 0 N--CA 1.468 0.803 0 CA-C-O 121.89 0.716 . . . . 0.0 113.987 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 tp -65.18 -23.1 67.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 -168.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -105.57 9.46 33.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.338 1.055 . . . . 0.0 111.774 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 50.84 57.04 7.08 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.542 1.537 . . . . 0.0 111.504 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.1 mt -84.21 136.08 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 125.276 1.43 . . . . 0.0 109.748 -172.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -94.46 138.78 31.97 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -169.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -67.89 -10.92 57.17 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -102.58 -15.79 16.29 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.692 1.197 . . . . 0.0 112.325 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -118.14 -28.21 5.89 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -168.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -147.33 -51.11 0.19 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -168.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -98.55 168.85 9.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.85 1.26 . . . . 0.0 112.186 169.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -115.46 135.63 53.91 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.971 1.708 . . . . 0.0 112.355 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -77.08 -13.93 59.88 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.7 -167.31 26.09 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.016 0.817 . . . . 0.0 113.256 -171.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.17 -8.66 59.53 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.2 m -139.29 150.77 65.49 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 126.343 1.857 . . . . 0.0 110.692 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.25 154.83 71.32 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.225 2.617 . . . . 0.0 110.58 173.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.5 54.15 0.01 OUTLIER Glycine 0 N--CA 1.472 1.062 0 N-CA-C 114.249 0.46 . . . . 0.0 114.249 -173.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -143.89 -175.29 4.53 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.902 2.081 . . . . 0.0 110.276 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.67 -23.99 45.58 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -169.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 72.1 m -113.64 10.45 18.0 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.832 1.253 . . . . 0.0 114.316 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.7 t30 56.48 47.63 18.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.922 1.689 . . . . 0.0 112.586 171.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.1 p -152.72 148.49 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.302 1.441 . . . . 0.0 110.27 -170.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -103.2 135.36 44.99 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.599 1.56 . . . . 0.0 111.105 -173.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.1 m -50.24 -37.4 35.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.204 1.402 . . . . 0.0 114.152 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -76.06 -26.65 56.75 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -22.19 63.69 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.812 -1.18 . . . . 0.0 112.174 173.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.66 -13.75 61.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.679 0.792 . . . . 0.0 112.67 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.2 mt -94.21 1.85 55.98 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.41 1.484 . . . . 0.0 112.79 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.0 p -79.34 170.07 17.15 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.782 1.233 . . . . 0.0 111.615 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -78.52 6.47 8.53 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -169.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -127.8 123.29 34.85 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.313 1.445 . . . . 0.0 109.207 169.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.5 pt -66.02 -14.1 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.405 1.482 . . . . 0.0 113.327 -176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.1 t -54.57 -33.26 59.91 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.59 1.556 . . . . 0.0 114.538 -169.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -36.16 82.77 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.567 -0.708 . . . . 0.0 111.501 176.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.13 -40.42 18.25 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.538 1.135 . . . . 0.0 111.264 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.53 93.72 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.048 0.939 . . . . 0.0 112.974 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -65.45 -35.14 80.03 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.94 -1.1 . . . . 0.0 112.653 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 36.1 t -67.44 -39.72 85.4 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.602 0.761 . . . . 0.0 111.22 172.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.41 88.88 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.195 0.998 . . . . 0.0 112.587 172.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -61.28 -42.25 98.33 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.234 1.379 . . . . 0.0 112.55 170.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.74 -26.36 66.95 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.2 mt -74.93 -44.89 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.41 -0.806 . . . . 0.0 110.644 169.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -24.59 57.75 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.077 1.351 . . . . 0.0 114.081 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -58.03 -19.14 29.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.628 1.571 . . . . 0.0 114.942 169.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -127.53 -32.06 2.44 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.288 1.435 . . . . 0.0 112.789 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -140.39 85.52 2.01 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.663 1.585 . . . . 0.0 110.538 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -54.24 -38.57 65.91 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -170.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -142.78 -15.84 0.71 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.106 1.362 . . . . 0.0 113.532 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.58 -14.83 62.2 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.667 1.187 . . . . 0.0 114.137 -172.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.85 -7.29 47.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.381 1.072 . . . . 0.0 113.67 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.6 m-90 -125.89 127.93 46.8 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 125.42 1.488 . . . . 0.0 111.582 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.97 -33.22 67.98 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -171.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.32 -38.95 95.44 Favored Glycine 0 C--N 1.339 0.724 0 C-N-CA 124.032 0.825 . . . . 0.0 113.16 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -64.39 -41.51 96.63 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -83.67 -9.95 58.51 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -95.42 -34.7 12.01 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.153 1.381 . . . . 0.0 113.984 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.91 -32.14 0.81 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.689 1.737 . . . . 0.0 115.689 -173.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 59.6 m -70.78 -9.89 58.35 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 120.815 -1.178 . . . . 0.0 114.062 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -72.74 -23.01 60.78 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.224 1.009 . . . . 0.0 112.538 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -88.67 -49.53 3.6 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 124.305 0.955 . . . . 0.0 112.81 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.0 m -153.54 145.35 23.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.045 1.338 . . . . 0.0 111.699 -174.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.2 mt -119.53 150.01 49.06 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 125.599 1.56 . . . . 0.0 110.976 171.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -74.2 157.69 45.9 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.798 2.999 . . . . 0.0 110.939 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -79.03 148.77 32.38 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 122.166 0.984 . . . . 0.0 111.734 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.0 pt -128.01 -1.5 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.908 2.083 . . . . 0.0 112.679 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.0 m -66.5 -14.27 62.04 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.46 1.104 . . . . 0.0 113.937 -174.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.3 p -88.12 -10.31 50.45 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.949 1.699 . . . . 0.0 113.996 173.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.797 1.639 . . . . 0.0 112.133 -176.426 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.056 0 N-CA-C 111.921 -0.472 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -157.03 163.7 38.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.769 1.628 . . . . 0.0 112.672 -172.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 m -106.49 135.58 47.74 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.799 1.239 . . . . 0.0 110.654 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -103.26 155.82 18.17 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.282 1.833 . . . . 0.0 110.677 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 p -82.47 169.05 16.82 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.508 1.123 . . . . 0.0 108.504 166.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -60.99 -37.92 84.17 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.86 -0.525 . . . . 0.0 109.6 167.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.4 m -64.86 -40.95 95.94 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.17 -44.88 58.66 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 124.331 0.967 . . . . 0.0 111.429 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.42 -47.8 77.75 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.427 1.114 . . . . 0.0 112.254 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.37 -41.71 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 119.29 0.95 . . . . 0.0 110.892 175.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -73.66 -42.03 61.91 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.231 1.012 . . . . 0.0 113.161 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.22 -39.25 93.59 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.248 1.019 . . . . 0.0 111.051 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -73.88 -38.45 64.4 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.449 -0.782 . . . . 0.0 111.99 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -56.08 -43.01 77.61 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.091 0.557 . . . . 0.0 111.93 170.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -65.61 -36.99 85.32 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.987 0.915 . . . . 0.0 112.34 173.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -86.23 -2.47 58.41 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.15 24.01 8.22 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.763 1.173 . . . . 0.0 115.172 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 14.5 m-85 -88.4 136.4 33.0 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.552 1.141 . . . . 0.0 109.936 175.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -69.81 131.83 45.11 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.424 0.69 . . . . 0.0 110.931 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -66.79 -19.38 65.73 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -176.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -76.09 -23.9 54.98 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 171.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.2 mt -90.83 -16.63 27.96 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.542 1.137 . . . . 0.0 112.332 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.4 tpp -50.18 -44.56 52.9 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.669 1.588 . . . . 0.0 113.435 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -55.4 -42.52 74.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.085 0.954 . . . . 0.0 113.015 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -67.98 -47.24 69.11 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.357 0.663 . . . . 0.0 111.164 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -62.14 -48.68 79.05 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.577 0.751 . . . . 0.0 112.51 -178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 m -66.5 -35.78 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 119.186 0.903 . . . . 0.0 111.853 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -71.2 -38.45 72.06 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.077 0.853 . . . . 0.0 112.188 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.32 -55.5 33.94 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.581 1.552 . . . . 0.0 109.844 169.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.9 t -60.1 -39.92 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.968 0.907 . . . . 0.0 112.173 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -63.69 -26.59 68.73 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -86.37 -39.06 16.79 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.585 1.084 . . . . 0.0 112.266 172.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.1 -55.78 5.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.034 0.534 . . . . 0.0 111.345 -172.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.9 p -112.57 -11.25 13.61 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m 68.03 24.15 7.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.574 1.55 . . . . 0.0 112.762 -169.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 69.68 27.81 4.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.171 1.388 . . . . 0.0 112.481 -175.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -119.0 118.42 31.45 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.254 1.422 . . . . 0.0 111.406 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.6 p -68.16 -25.61 65.34 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 119.078 -0.487 . . . . 0.0 112.082 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.8 m -77.67 -4.53 46.58 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -73.51 144.37 46.18 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.913 -1.117 . . . . 0.0 112.882 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 p -146.15 152.43 39.25 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.548 1.939 . . . . 0.0 111.382 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -149.51 124.23 9.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.445 1.498 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 m -92.97 142.73 26.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.942 1.297 . . . . 0.0 110.537 -176.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -106.16 159.63 15.94 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.573 1.549 . . . . 0.0 112.254 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -63.65 -23.36 67.34 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.57 1.148 . . . . 0.0 113.316 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -71.28 -15.59 62.43 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.591 1.556 . . . . 0.0 113.764 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.24 -4.94 74.63 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.549 1.547 . . . . 0.0 114.077 -176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.9 p -80.38 162.43 24.49 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.981 1.313 . . . . 0.0 111.762 170.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -128.74 150.18 50.39 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.686 1.194 . . . . 0.0 111.221 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -101.72 139.88 36.77 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.317 1.847 . . . . 0.0 109.462 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -138.79 148.99 44.48 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.573 1.149 . . . . 0.0 113.046 -169.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.53 -175.35 53.23 Favored Glycine 0 N--CA 1.467 0.715 0 O-C-N 121.51 -0.743 . . . . 0.0 114.282 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.97 -21.7 66.88 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -168.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -108.49 9.96 27.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.492 1.117 . . . . 0.0 111.673 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 50.31 57.46 6.56 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.821 1.648 . . . . 0.0 111.508 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.425 HD13 ' SG ' ' A' ' 90' ' ' CYS . 15.9 mt -84.5 133.35 29.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.301 1.44 . . . . 0.0 109.747 -171.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -93.59 137.92 32.37 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -170.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -66.37 -11.56 52.02 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -83.54 -18.01 39.84 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.003 0.921 . . . . 0.0 112.758 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -130.77 -59.1 1.01 Allowed 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -167.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -102.8 -50.79 3.44 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -166.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -102.12 162.97 12.5 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.363 1.465 . . . . 0.0 111.865 169.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.6 t -111.05 135.74 51.11 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.878 1.671 . . . . 0.0 112.447 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -78.85 -13.73 59.64 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.57 -167.16 25.31 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.045 0.831 . . . . 0.0 112.971 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.23 -7.92 57.71 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.8 m -139.5 150.77 64.86 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 126.058 1.743 . . . . 0.0 111.068 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -68.92 157.01 63.57 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.452 2.768 . . . . 0.0 110.725 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.57 40.82 0.02 OUTLIER Glycine 0 N--CA 1.476 1.342 0 N-CA-C 116.181 1.232 . . . . 0.0 116.181 -176.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -128.32 -173.25 2.9 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.309 1.844 . . . . 0.0 110.425 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -57.27 -26.78 61.36 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -169.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 62.9 m -105.9 7.29 32.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.589 1.156 . . . . 0.0 113.919 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.4 t30 56.49 48.32 16.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.939 1.695 . . . . 0.0 112.56 172.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -150.89 153.59 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 125.325 1.45 . . . . 0.0 110.664 -171.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -105.93 136.27 45.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.259 1.823 . . . . 0.0 111.174 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.6 m -51.55 -36.51 45.4 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.255 1.422 . . . . 0.0 113.91 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -72.23 -29.98 64.47 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -14.44 62.46 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.736 -1.228 . . . . 0.0 112.162 171.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.45 -14.59 58.16 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.028 0.831 . . . . 0.0 112.446 172.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.1 mt -94.62 6.76 47.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.526 1.53 . . . . 0.0 113.04 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -79.97 -179.61 7.08 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.466 1.507 . . . . 0.0 111.991 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -91.67 9.16 33.55 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.358 1.463 . . . . 0.0 113.819 -170.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -132.92 126.36 31.94 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.031 1.732 . . . . 0.0 108.031 168.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.9 pt -67.79 -14.14 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.491 1.116 . . . . 0.0 113.179 -174.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.5 t -53.08 -37.55 61.77 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.624 1.569 . . . . 0.0 114.265 -169.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -61.7 -32.51 72.72 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.385 -0.822 . . . . 0.0 112.196 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.59 -39.04 15.43 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.826 1.25 . . . . 0.0 111.729 174.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.65 -39.77 80.54 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.452 1.101 . . . . 0.0 113.4 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -69.65 -33.27 72.38 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.912 -1.117 . . . . 0.0 112.322 173.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.425 ' SG ' HD13 ' A' ' 56' ' ' ILE . 37.7 t -68.68 -35.32 77.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.263 1.025 . . . . 0.0 111.485 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.97 91.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.128 0.971 . . . . 0.0 112.394 171.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.405 ' HD3' ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -61.16 -42.31 98.32 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.955 1.252 . . . . 0.0 112.549 170.718 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.81 -24.96 67.02 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.019 0.928 . . . . 0.0 112.997 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 84.9 mt -77.12 -46.44 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.964 0.906 . . . . 0.0 110.462 168.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.82 -25.82 56.75 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.519 1.528 . . . . 0.0 113.918 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -55.41 -27.18 46.08 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.411 1.484 . . . . 0.0 114.416 169.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -115.59 -34.89 4.72 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.544 1.538 . . . . 0.0 112.307 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -143.62 88.26 1.98 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.573 1.549 . . . . 0.0 110.751 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -54.35 -38.55 66.2 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -170.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -142.21 -10.32 0.86 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.248 1.419 . . . . 0.0 113.328 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -76.18 -12.61 60.13 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -171.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.88 -5.21 39.71 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.139 0.976 . . . . 0.0 113.631 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -125.93 143.99 50.86 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.679 1.592 . . . . 0.0 111.77 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -86.87 -37.32 17.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -169.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.02 -34.2 88.16 Favored Glycine 0 N--CA 1.471 0.978 0 C-N-CA 123.695 0.664 . . . . 0.0 113.328 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -61.7 -41.27 97.38 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -94.93 -17.57 21.87 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.34 -20.96 19.29 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -138.94 -44.2 0.47 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 m -70.78 -7.0 41.88 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -172.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -72.69 -22.88 60.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.029 0.932 . . . . 0.0 112.958 173.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.7 -35.26 25.8 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 118.724 0.693 . . . . 0.0 113.551 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -173.19 145.73 1.36 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 127.36 2.264 . . . . 0.0 110.369 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.7 mt -111.04 148.86 39.54 Favored Pre-proline 0 CA--C 1.543 0.709 0 C-N-CA 124.979 1.311 . . . . 0.0 111.163 172.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -70.64 153.43 64.89 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 123.773 2.982 . . . . 0.0 111.04 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -77.57 148.09 35.36 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 122.275 1.036 . . . . 0.0 111.647 170.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.9 pt -129.94 -0.09 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.997 2.119 . . . . 0.0 112.636 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.8 m -62.96 -17.02 61.47 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -173.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 m -83.46 -6.32 59.42 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.051 1.341 . . . . 0.0 113.849 173.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.858 1.663 . . . . 0.0 112.061 -175.28 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.171 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -155.92 162.37 40.4 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.613 1.565 . . . . 0.0 112.718 -171.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -109.45 136.59 48.61 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.11 1.364 . . . . 0.0 110.334 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -104.42 155.05 19.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.089 1.755 . . . . 0.0 110.709 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.0 t -93.88 162.43 13.91 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.866 1.266 . . . . 0.0 108.683 168.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.3 -47.73 78.07 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.456 1.025 . . . . 0.0 111.787 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.4 m -59.86 -38.87 83.37 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.64 -0.662 . . . . 0.0 112.768 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.83 -45.54 73.86 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 124.057 0.836 . . . . 0.0 111.691 176.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.01 -50.03 73.69 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.054 1.341 . . . . 0.0 111.797 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.24 -45.3 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.744 0.818 . . . . 0.0 110.606 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -68.79 -43.68 75.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.985 0.914 . . . . 0.0 113.46 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.36 -38.14 88.38 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.05 1.34 . . . . 0.0 111.274 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.49 -41.08 48.31 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.008 0.923 . . . . 0.0 112.284 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -55.9 -40.58 73.24 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 118.451 0.569 . . . . 0.0 111.492 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -66.37 -41.65 89.13 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.516 1.926 . . . . 0.0 112.254 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -82.26 -5.18 58.36 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.33 39.83 2.73 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 124.751 1.167 . . . . 0.0 114.459 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -105.04 138.48 41.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.374 1.47 . . . . 0.0 109.332 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.38 141.57 38.27 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.201 0.6 . . . . 0.0 112.082 -172.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -38.83 63.0 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.817 1.247 . . . . 0.0 113.925 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.39 -14.81 60.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.1 mt -100.99 -20.33 15.46 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.02 1.328 . . . . 0.0 112.079 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.5 tpp -49.78 -44.97 49.24 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.04 1.736 . . . . 0.0 113.011 -174.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -55.18 -48.57 73.61 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.021 0.929 . . . . 0.0 112.428 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -65.06 -44.13 89.98 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.556 0.742 . . . . 0.0 111.481 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -62.71 -48.94 77.05 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.256 0.622 . . . . 0.0 112.494 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 m -67.81 -35.07 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 119.221 0.919 . . . . 0.0 111.924 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -71.79 -32.18 67.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.715 0.689 . . . . 0.0 112.664 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.91 -54.34 27.77 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.091 1.756 . . . . 0.0 109.927 169.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.03 -40.48 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.026 0.93 . . . . 0.0 111.891 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.93 -31.74 72.08 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -85.6 -29.31 24.2 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -81.62 -59.12 2.72 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.945 0.898 . . . . 0.0 111.624 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -113.21 -10.24 13.39 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -174.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m 67.55 23.64 8.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.429 1.492 . . . . 0.0 112.816 -169.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 mtm-85 70.38 29.17 3.6 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.251 1.42 . . . . 0.0 112.192 -175.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -121.77 117.52 26.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.09 1.356 . . . . 0.0 111.391 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.5 p -67.75 -27.14 66.53 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 122.247 -0.283 . . . . 0.0 111.637 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 m -74.86 -5.47 43.8 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -74.71 145.22 43.27 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.897 -1.127 . . . . 0.0 112.851 -174.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.0 p -145.3 156.66 43.94 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.097 1.759 . . . . 0.0 111.823 175.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -147.5 131.69 17.4 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.022 1.329 . . . . 0.0 111.373 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.3 m -89.91 144.21 26.13 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.95 1.3 . . . . 0.0 110.132 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -106.46 158.36 16.96 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.14 1.376 . . . . 0.0 111.576 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -61.6 -24.02 66.4 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.383 1.073 . . . . 0.0 113.259 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -69.5 -18.75 63.72 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.742 1.617 . . . . 0.0 114.091 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.31 -4.16 70.01 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.336 1.446 . . . . 0.0 114.247 -175.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.2 p -82.9 159.2 22.38 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.927 1.291 . . . . 0.0 111.176 169.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -127.37 153.03 46.73 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.618 1.167 . . . . 0.0 111.18 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -103.55 143.33 32.88 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.596 1.958 . . . . 0.0 110.011 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -140.9 147.23 38.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.638 1.175 . . . . 0.0 113.422 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.26 -175.82 53.82 Favored Glycine 0 N--CA 1.467 0.727 0 CA-C-O 121.92 0.734 . . . . 0.0 114.292 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -21.59 66.8 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -168.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -107.85 9.06 28.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.584 1.153 . . . . 0.0 111.771 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 50.14 57.89 6.07 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.839 1.656 . . . . 0.0 111.574 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.6 mt -84.13 134.2 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.222 1.409 . . . . 0.0 109.457 -172.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -93.98 139.61 30.72 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -170.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.53 -9.63 27.87 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 116.491 2.034 . . . . 0.0 116.491 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -89.11 -15.79 33.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.959 1.304 . . . . 0.0 113.666 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -135.36 -47.78 0.7 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -167.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -117.71 -41.39 2.93 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -167.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -111.63 165.19 12.24 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.614 1.166 . . . . 0.0 112.052 168.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -118.36 136.98 53.42 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.752 1.221 . . . . 0.0 112.372 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -85.83 -11.32 53.7 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.82 -170.49 29.29 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.01 0.815 . . . . 0.0 112.371 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.39 4.26 18.58 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 -177.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -148.75 143.56 17.33 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.579 1.552 . . . . 0.0 110.562 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.16 159.93 51.0 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.546 2.831 . . . . 0.0 111.603 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.05 72.65 0.03 OUTLIER Glycine 0 N--CA 1.472 1.087 0 O-C-N 121.888 -0.507 . . . . 0.0 114.283 -175.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -154.49 -176.78 6.06 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.356 2.263 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.96 -27.16 60.99 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.625 1.57 . . . . 0.0 114.075 175.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 55.8 m -105.67 0.26 26.19 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.653 1.181 . . . . 0.0 114.039 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 55.94 50.38 14.02 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.609 1.563 . . . . 0.0 112.898 170.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.2 p -149.6 151.34 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.717 1.207 . . . . 0.0 111.469 -171.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -104.26 135.83 44.98 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.537 1.935 . . . . 0.0 111.147 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.3 m -51.87 -37.46 52.25 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.524 1.529 . . . . 0.0 113.813 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -73.69 -28.31 61.68 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -10.86 60.38 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.807 -1.183 . . . . 0.0 112.478 171.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.8 mt -84.18 -14.6 49.69 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.678 0.672 . . . . 0.0 112.272 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 mt -93.81 8.09 42.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.588 1.555 . . . . 0.0 112.903 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.4 t -84.08 -175.48 5.82 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.677 1.591 . . . . 0.0 112.181 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -93.83 11.48 29.19 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.681 1.592 . . . . 0.0 113.921 -169.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -139.13 127.05 22.21 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.061 1.744 . . . . 0.0 108.431 168.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.7 pt -71.11 -12.82 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.5 1.12 . . . . 0.0 113.174 -173.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.1 t -56.92 -33.93 67.45 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -169.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -32.85 73.49 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.125 -0.985 . . . . 0.0 112.044 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.26 -39.94 16.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.342 1.057 . . . . 0.0 111.618 174.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.45 -41.6 84.46 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.855 0.862 . . . . 0.0 113.266 -176.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -68.04 -32.92 73.61 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.721 -1.237 . . . . 0.0 112.411 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.0 t -67.97 -37.48 81.59 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.816 0.846 . . . . 0.0 111.222 171.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.74 91.95 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.162 0.985 . . . . 0.0 112.583 171.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.19 -42.27 98.28 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 120.359 1.436 . . . . 0.0 112.328 170.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -66.02 -22.26 66.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.8 mt -80.85 -45.53 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.044 0.937 . . . . 0.0 110.753 168.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -28.15 55.96 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.216 1.406 . . . . 0.0 113.598 177.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.77 -20.5 35.63 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.055 1.742 . . . . 0.0 114.801 169.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -116.01 -38.39 3.65 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.831 1.653 . . . . 0.0 112.082 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -145.3 95.87 2.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.608 1.563 . . . . 0.0 110.809 -176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -54.33 -39.18 66.81 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -170.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -142.56 -17.14 0.71 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.146 1.378 . . . . 0.0 113.457 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -72.26 -14.32 61.74 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -172.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.27 -9.37 55.76 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.271 1.028 . . . . 0.0 113.592 172.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 -121.05 124.57 45.14 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.391 1.476 . . . . 0.0 111.749 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -71.05 -32.15 68.78 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -173.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.48 -37.44 94.45 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 123.78 0.705 . . . . 0.0 112.716 -178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -64.2 -44.79 90.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 117.767 0.783 . . . . 0.0 112.613 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -78.07 -10.19 59.5 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -90.25 -34.66 15.68 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.948 1.299 . . . . 0.0 113.602 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.16 -24.49 0.99 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -170.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 84.1 m -76.49 -7.02 54.27 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 120.051 1.296 . . . . 0.0 113.844 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -77.67 -21.56 51.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.35 1.06 . . . . 0.0 112.836 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -88.33 -39.28 6.87 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 124.026 0.822 . . . . 0.0 113.62 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.6 t -170.32 153.9 4.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.656 1.582 . . . . 0.0 111.264 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.5 mt -121.26 150.14 53.38 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.798 1.639 . . . . 0.0 111.766 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -71.41 156.72 58.04 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.853 3.036 . . . . 0.0 111.214 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -78.31 152.05 32.64 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 122.217 1.008 . . . . 0.0 112.175 173.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.8 pt -131.56 -3.36 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 127.001 2.12 . . . . 0.0 113.056 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.0 t -67.6 -18.81 65.12 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.101 -0.999 . . . . 0.0 112.737 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.8 p -80.56 -10.69 59.73 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.772 1.629 . . . . 0.0 114.219 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.696 1.598 . . . . 0.0 112.119 -176.353 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 N-CA-C 112.231 -0.347 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -159.2 165.57 33.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.518 1.927 . . . . 0.0 112.412 -175.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 m -110.82 131.46 55.03 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.638 1.175 . . . . 0.0 110.485 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -96.39 156.85 16.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.094 1.757 . . . . 0.0 110.744 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -95.68 160.8 14.31 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.836 1.255 . . . . 0.0 108.491 168.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.01 -45.92 78.93 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.476 1.035 . . . . 0.0 111.73 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.6 m -61.34 -33.68 74.02 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.91 -46.38 29.46 Favored Glycine 0 C--N 1.339 0.742 0 C-N-CA 124.279 0.942 . . . . 0.0 111.435 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.02 -48.83 78.52 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.131 1.373 . . . . 0.0 112.068 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.9 t -50.52 -45.34 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.008 0.822 . . . . 0.0 110.525 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -69.84 -41.52 74.79 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.123 0.969 . . . . 0.0 113.311 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.01 -41.45 99.56 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.384 1.074 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.81 -37.93 67.35 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.026 0.93 . . . . 0.0 112.224 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -58.54 -40.97 84.45 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.922 0.489 . . . . 0.0 111.91 172.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.57 -33.82 75.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.671 0.788 . . . . 0.0 112.565 172.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -88.97 5.53 43.77 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.962 1.305 . . . . 0.0 114.509 -175.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.36 23.55 21.51 Favored Glycine 0 N--CA 1.473 1.135 0 C-N-CA 124.63 1.11 . . . . 0.0 115.377 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.443 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 6.8 m-85 -88.08 140.85 29.07 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.536 1.168 . . . . 0.0 109.954 174.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -77.97 138.02 38.62 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.493 0.717 . . . . 0.0 111.967 -174.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.59 -26.06 67.73 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 114.15 1.166 . . . . 0.0 114.15 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -83.13 -17.48 42.86 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.4 mt -96.21 -19.38 19.37 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.537 1.135 . . . . 0.0 112.249 173.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.7 tpp -46.55 -45.02 18.41 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.497 1.919 . . . . 0.0 113.3 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -55.77 -48.34 75.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.479 1.112 . . . . 0.0 112.94 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -64.1 -43.09 96.41 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.173 0.589 . . . . 0.0 111.41 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -64.1 -49.51 71.97 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.298 0.639 . . . . 0.0 112.687 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 m -66.67 -33.91 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 119.062 0.846 . . . . 0.0 111.701 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -73.28 -33.36 65.19 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.789 0.722 . . . . 0.0 112.706 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.99 -53.77 44.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.769 1.628 . . . . 0.0 109.888 169.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.5 t -60.17 -40.65 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.034 0.934 . . . . 0.0 111.758 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -62.88 -26.71 68.91 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -86.2 -35.55 20.0 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -78.37 -48.43 15.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.325 0.65 . . . . 0.0 111.867 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -121.65 -12.72 8.46 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m 62.38 32.41 16.88 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.688 0.795 . . . . 0.0 111.612 -167.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 72.9 27.84 2.08 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.052 1.741 . . . . 0.0 112.749 176.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -118.41 115.57 24.93 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.553 1.541 . . . . 0.0 111.838 -175.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.3 p -68.01 -25.06 65.21 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.6 m -75.37 -4.86 41.83 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.4 1.0 . . . . 0.0 113.694 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -77.05 144.57 38.5 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.075 -1.016 . . . . 0.0 113.383 -171.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.1 p -145.05 158.16 43.9 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.688 1.995 . . . . 0.0 111.903 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -152.61 133.09 13.76 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.269 1.428 . . . . 0.0 111.441 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 m -89.58 148.06 23.58 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.117 1.367 . . . . 0.0 110.668 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -110.6 158.74 18.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.646 1.579 . . . . 0.0 112.019 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.57 -23.57 67.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.61 1.164 . . . . 0.0 113.565 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -80.74 -4.36 54.18 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.172 1.389 . . . . 0.0 114.16 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.22 -2.35 83.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.235 1.397 . . . . 0.0 114.714 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.5 p -82.48 165.14 20.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.798 1.239 . . . . 0.0 111.662 170.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -132.69 150.82 52.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.632 1.173 . . . . 0.0 110.937 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -103.23 141.53 35.73 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.727 2.011 . . . . 0.0 109.465 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -137.43 151.16 48.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.386 1.075 . . . . 0.0 113.617 -169.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.49 -152.41 29.12 Favored Glycine 0 N--CA 1.463 0.47 0 C-N-CA 123.749 0.69 . . . . 0.0 114.075 169.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -88.36 -21.76 24.18 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -112.8 10.51 19.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.802 1.641 . . . . 0.0 111.378 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 54.66 52.9 11.4 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.212 1.805 . . . . 0.0 110.927 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.5 mt -81.84 133.09 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.505 1.122 . . . . 0.0 109.109 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.67 137.26 34.0 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -169.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.65 -10.85 21.04 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 116.466 2.025 . . . . 0.0 116.466 -176.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -90.41 -15.81 30.26 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.892 1.277 . . . . 0.0 113.345 -177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -131.15 -52.95 1.04 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -167.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -110.28 -52.51 2.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.512 0.725 . . . . 0.0 112.086 -167.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.83 172.86 7.17 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.384 1.474 . . . . 0.0 111.743 169.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.51 140.77 51.64 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.219 1.008 . . . . 0.0 112.617 176.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -88.91 -11.22 45.14 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -176.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.93 -175.41 32.13 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.26 0.934 . . . . 0.0 112.315 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.1 -1.81 6.67 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -172.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -156.04 145.43 15.23 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 126.284 1.834 . . . . 0.0 109.966 -169.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.95 150.19 88.45 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.225 2.617 . . . . 0.0 110.823 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.64 32.59 0.03 OUTLIER Glycine 0 N--CA 1.475 1.259 0 N-CA-C 118.571 2.188 . . . . 0.0 118.571 -171.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -124.6 -164.36 1.26 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 118.794 1.297 . . . . 0.0 111.716 169.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.72 -31.99 65.06 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -168.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 82.1 m -100.3 4.52 44.15 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 56.98 47.39 17.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.689 1.596 . . . . 0.0 112.143 169.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.3 p -147.0 152.12 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.698 1.599 . . . . 0.0 110.06 -171.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -105.18 136.56 44.47 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.572 1.549 . . . . 0.0 110.134 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.7 m -50.64 -35.21 29.45 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.95 1.3 . . . . 0.0 113.701 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -71.93 -31.65 66.56 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.48 -12.33 61.56 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 120.617 -1.302 . . . . 0.0 112.516 172.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.37 -14.14 55.72 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.473 -0.767 . . . . 0.0 112.248 172.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 mt -96.56 9.56 41.09 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.617 1.567 . . . . 0.0 113.319 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.3 t -89.14 -175.68 4.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.621 1.568 . . . . 0.0 112.335 -173.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -86.16 -4.22 59.12 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -172.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -122.4 124.04 42.74 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.377 1.471 . . . . 0.0 109.484 169.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.0 pt -67.36 -14.69 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 125.046 1.339 . . . . 0.0 113.348 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -51.79 -37.63 52.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.16 1.784 . . . . 0.0 114.871 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -64.84 -29.82 70.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.545 -0.722 . . . . 0.0 112.747 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.16 -40.73 14.34 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.538 1.135 . . . . 0.0 111.489 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.9 89.35 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.52 1.128 . . . . 0.0 113.053 -175.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.29 -33.25 71.33 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.105 -0.997 . . . . 0.0 112.693 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 33.8 t -66.57 -38.51 87.21 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.832 0.853 . . . . 0.0 111.068 171.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.93 85.16 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.333 1.053 . . . . 0.0 112.554 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.443 ' HD3' ' CE1' ' A' ' 18' ' ' PHE . 20.2 mmmt -62.29 -41.75 98.76 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.194 1.361 . . . . 0.0 112.48 171.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -66.51 -25.21 66.58 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.8 mt -74.94 -46.14 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 121.354 -0.841 . . . . 0.0 110.514 168.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -27.25 61.57 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.906 1.282 . . . . 0.0 114.098 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -55.67 -28.91 58.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.18 1.392 . . . . 0.0 114.36 169.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -109.6 -36.41 5.96 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.603 1.561 . . . . 0.0 111.939 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -145.5 88.66 1.87 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.785 1.634 . . . . 0.0 110.649 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -53.46 -40.47 65.29 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -169.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -140.01 -9.85 1.16 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.203 1.401 . . . . 0.0 113.106 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.62 -16.11 60.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.761 1.224 . . . . 0.0 114.176 -170.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.76 -8.39 55.18 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.488 1.115 . . . . 0.0 113.584 173.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 25.6 m-90 -118.3 140.73 49.38 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.589 1.556 . . . . 0.0 112.245 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -89.56 -30.66 18.05 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.029 0.932 . . . . 0.0 113.202 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.44 -35.22 81.33 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.747 0.689 . . . . 0.0 112.901 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -63.86 -42.93 97.44 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.996 -0.708 . . . . 0.0 112.7 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -77.45 -10.15 59.3 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.113 -0.992 . . . . 0.0 113.662 173.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -85.33 -36.0 21.08 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.358 1.063 . . . . 0.0 113.421 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.21 -14.18 0.7 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 118.181 2.66 . . . . 0.0 118.181 -174.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 74.5 m -78.94 -5.82 54.68 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.436 1.471 . . . . 0.0 113.746 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -80.98 -24.05 38.31 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.354 1.062 . . . . 0.0 112.93 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.23 -37.64 6.61 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.068 0.842 . . . . 0.0 113.607 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.1 t -170.03 155.85 5.76 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.748 1.619 . . . . 0.0 111.122 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -121.27 151.27 55.65 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.774 1.63 . . . . 0.0 111.735 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.62 153.65 69.31 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.84 3.027 . . . . 0.0 111.582 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -77.56 142.16 39.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.932 0.893 . . . . 0.0 111.577 170.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.6 pt -131.78 -1.1 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.414 1.886 . . . . 0.0 113.0 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.2 p -67.57 -10.23 50.0 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -175.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.5 p -84.88 -11.52 55.44 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.904 1.682 . . . . 0.0 114.038 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.9 m . . . . . 0 C--O 1.251 1.145 0 C-N-CA 125.83 1.652 . . . . 0.0 112.193 -177.088 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 CA-C-O 121.681 0.6 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -157.27 164.79 37.29 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 128.137 2.575 . . . . 0.0 112.379 -174.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m -101.78 138.57 38.58 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.362 1.465 . . . . 0.0 110.644 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -103.0 154.53 19.15 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.467 1.907 . . . . 0.0 110.334 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.9 t -95.52 159.64 14.9 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.133 1.373 . . . . 0.0 108.965 169.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.48 -49.04 75.83 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.247 0.93 . . . . 0.0 112.093 -172.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 p -63.78 -31.44 72.62 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.49 -45.73 58.64 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.19 0.9 . . . . 0.0 111.445 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.24 -49.95 73.7 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.188 1.395 . . . . 0.0 111.705 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.21 -46.71 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.128 0.971 . . . . 0.0 110.545 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -68.67 -42.95 77.17 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.48 -40.84 98.17 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.116 0.967 . . . . 0.0 111.255 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -71.89 -39.36 69.64 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.712 0.805 . . . . 0.0 112.032 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -57.33 -40.79 78.7 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.294 0.497 . . . . 0.0 111.808 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -67.65 -35.75 79.47 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.053 0.941 . . . . 0.0 112.531 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -87.75 5.24 40.92 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.196 1.398 . . . . 0.0 114.482 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.62 32.36 8.17 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.612 1.101 . . . . 0.0 114.829 169.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -97.66 131.84 43.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.832 1.253 . . . . 0.0 109.478 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.44 137.82 57.71 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.886 0.874 . . . . 0.0 113.066 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.64 -29.42 70.61 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -75.49 -15.34 60.42 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 175.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.8 mt -104.33 -13.63 16.06 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.4 1.48 . . . . 0.0 112.771 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.9 tpp -52.94 -43.12 66.05 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.216 1.406 . . . . 0.0 112.957 -173.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -55.97 -48.15 76.35 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.264 1.026 . . . . 0.0 112.469 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -61.36 -47.5 85.59 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.564 0.746 . . . . 0.0 110.604 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.9 m95 -63.1 -50.32 71.0 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.739 0.816 . . . . 0.0 112.5 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.61 -35.44 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 119.375 0.989 . . . . 0.0 111.906 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.39 -37.0 74.45 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.839 0.745 . . . . 0.0 112.206 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.65 -51.86 63.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.354 1.462 . . . . 0.0 110.616 171.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.9 t -57.94 -39.03 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.484 -0.76 . . . . 0.0 111.788 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.5 -26.87 66.57 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -34.16 38.34 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.927 1.24 . . . . 0.0 112.029 173.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.02 -60.77 2.11 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.926 0.891 . . . . 0.0 111.881 -173.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.8 p -112.11 -7.55 14.07 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.213 -0.93 . . . . 0.0 113.11 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 m 62.05 24.11 14.31 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.66 1.184 . . . . 0.0 112.411 -169.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.1 mtm-85 73.27 28.72 1.78 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.032 1.733 . . . . 0.0 112.578 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -117.29 115.55 25.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.915 1.286 . . . . 0.0 112.157 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.9 p -66.09 -25.4 67.0 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -79.48 -6.98 58.09 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -73.15 140.66 47.21 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.82 -1.175 . . . . 0.0 112.901 -172.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.8 p -137.55 158.66 43.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.975 1.71 . . . . 0.0 111.584 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -149.48 131.83 15.6 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.979 1.311 . . . . 0.0 111.46 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.1 m -87.67 147.31 25.31 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.878 1.271 . . . . 0.0 110.146 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -110.31 157.72 19.19 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.583 1.553 . . . . 0.0 111.791 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -62.6 -23.87 67.27 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.481 1.112 . . . . 0.0 113.355 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -77.89 -7.49 56.79 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.492 1.517 . . . . 0.0 113.788 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.42 1.16 72.09 Favored Glycine 0 N--CA 1.475 1.277 0 C-N-CA 125.356 1.455 . . . . 0.0 114.9 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.8 p -87.26 165.35 15.73 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.374 1.47 . . . . 0.0 111.891 171.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -129.75 151.71 50.03 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.482 1.113 . . . . 0.0 111.287 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -102.86 145.36 29.91 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.496 1.919 . . . . 0.0 110.312 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -142.08 148.2 38.02 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.982 1.313 . . . . 0.0 113.276 -171.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.46 -177.51 48.98 Favored Glycine 0 N--CA 1.468 0.809 0 C-N-CA 123.816 0.722 . . . . 0.0 114.199 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.99 -23.7 67.43 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -168.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -104.33 7.22 35.68 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.469 1.108 . . . . 0.0 111.971 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 51.85 58.57 5.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.066 1.746 . . . . 0.0 111.384 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.7 mt -83.04 134.93 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 125.524 1.53 . . . . 0.0 109.336 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -96.91 140.24 31.76 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.35 -8.36 18.05 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -113.05 1.07 15.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.199 1.8 . . . . 0.0 112.65 -176.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -129.39 -41.96 1.35 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -172.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -144.56 -36.64 0.32 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -168.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -108.36 168.25 9.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.287 1.035 . . . . 0.0 112.15 168.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.35 138.6 53.64 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.804 1.241 . . . . 0.0 112.552 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -84.43 -15.2 47.02 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.34 -166.65 29.74 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.111 0.862 . . . . 0.0 112.989 -172.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.38 7.09 8.56 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -156.48 145.0 14.58 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.83 1.652 . . . . 0.0 110.363 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.71 160.43 48.21 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.589 2.859 . . . . 0.0 111.634 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.72 70.89 0.03 OUTLIER Glycine 0 N--CA 1.471 0.975 0 O-C-N 121.948 -0.47 . . . . 0.0 114.049 -174.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -151.48 -178.34 6.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 127.593 2.357 . . . . 0.0 110.0 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -59.9 -31.81 70.16 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.841 0.856 . . . . 0.0 112.971 174.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.3 m -93.84 -1.58 54.67 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 52.87 52.2 14.4 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.996 1.719 . . . . 0.0 112.685 170.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.49 146.48 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.624 1.17 . . . . 0.0 111.119 -171.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -101.35 135.0 43.56 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.11 1.764 . . . . 0.0 110.696 -174.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.8 m -48.82 -38.62 22.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.432 1.493 . . . . 0.0 114.348 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -77.16 -24.42 51.51 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.457 -0.777 . . . . 0.0 112.813 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.6 -11.15 60.53 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.722 -1.236 . . . . 0.0 112.211 170.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.4 mt -82.4 -9.82 59.3 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.099 -1.001 . . . . 0.0 112.587 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.0 mt -97.22 8.78 43.85 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.608 1.563 . . . . 0.0 112.62 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.5 p -69.13 162.8 26.23 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.125 1.77 . . . . 0.0 112.365 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -77.01 -1.68 30.06 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -120.89 127.79 52.2 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.235 1.814 . . . . 0.0 107.632 167.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.3 pt -68.8 -12.58 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 125.27 1.428 . . . . 0.0 113.446 -174.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.7 t -51.8 -39.37 58.57 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.982 1.713 . . . . 0.0 114.797 -169.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -64.2 -29.81 70.9 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.275 -0.891 . . . . 0.0 112.839 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.3 -41.97 15.05 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.389 1.075 . . . . 0.0 111.491 172.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.46 98.78 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.368 1.067 . . . . 0.0 113.106 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.37 -35.56 81.34 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.066 -1.022 . . . . 0.0 112.613 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 43.3 t -68.72 -39.98 80.17 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.489 0.715 . . . . 0.0 111.183 171.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.3 -37.12 76.9 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.056 0.942 . . . . 0.0 113.001 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -61.77 -44.02 97.7 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.143 1.338 . . . . 0.0 112.588 170.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -68.38 -24.97 64.84 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.314 -0.866 . . . . 0.0 112.836 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 96.2 mt -71.77 -48.11 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.416 -0.802 . . . . 0.0 110.231 168.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.5 -30.72 63.33 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.64 1.176 . . . . 0.0 113.371 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -57.51 -19.25 23.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.936 2.094 . . . . 0.0 115.502 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -115.86 -37.79 3.82 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.852 1.661 . . . . 0.0 111.872 174.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -145.6 91.86 2.16 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.189 1.796 . . . . 0.0 110.372 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -51.41 -41.73 60.96 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -170.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -142.03 -11.21 0.87 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.216 1.406 . . . . 0.0 113.242 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.83 -13.34 61.27 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.845 1.258 . . . . 0.0 113.915 -172.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.46 -7.21 41.6 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.439 1.096 . . . . 0.0 113.668 172.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.6 m-90 -128.71 123.01 31.97 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.438 1.495 . . . . 0.0 111.37 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -74.25 -35.24 63.81 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -167.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.86 -25.5 74.18 Favored Glycine 0 N--CA 1.473 1.111 0 O-C-N 121.483 -0.76 . . . . 0.0 113.476 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -67.43 -44.97 77.43 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.437 1.119 . . . . 0.0 111.194 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -80.91 -15.81 55.29 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -98.37 -32.79 11.33 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -127.31 -33.31 2.38 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.1 m -84.26 0.95 46.99 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -76.43 -32.41 58.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.854 0.861 . . . . 0.0 112.792 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.5 -30.35 19.12 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 123.739 0.685 . . . . 0.0 114.032 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.8 m -153.56 132.45 12.43 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.278 1.431 . . . . 0.0 111.206 -174.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.2 mt -121.06 150.57 53.69 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.778 1.631 . . . . 0.0 110.778 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -71.85 153.96 58.59 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.608 2.872 . . . . 0.0 111.271 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -77.41 142.1 39.43 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.896 0.879 . . . . 0.0 111.403 170.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 44.8 pt -129.86 -1.71 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.33 1.852 . . . . 0.0 113.07 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.3 p -68.16 -10.65 55.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 p -86.33 -10.66 54.0 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.964 1.706 . . . . 0.0 114.083 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.251 1.14 0 C-N-CA 126.017 1.727 . . . . 0.0 112.142 -176.302 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.051 0 N-CA-C 111.996 -0.441 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -155.23 164.21 39.11 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.745 1.618 . . . . 0.0 112.62 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -107.36 132.7 52.86 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.727 1.211 . . . . 0.0 110.696 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -97.79 157.45 16.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.17 1.788 . . . . 0.0 110.748 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.7 t -96.87 159.87 14.67 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.011 1.324 . . . . 0.0 108.652 168.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -55.8 -45.9 78.14 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.502 1.046 . . . . 0.0 112.014 -175.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m -61.34 -35.09 76.45 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.31 42.48 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 124.162 0.887 . . . . 0.0 111.579 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.69 -49.02 76.76 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.105 1.362 . . . . 0.0 112.067 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.9 t -49.98 -45.86 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.764 0.826 . . . . 0.0 110.444 173.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -69.24 -41.31 77.14 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.885 0.874 . . . . 0.0 113.228 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.39 -42.22 98.8 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.279 1.032 . . . . 0.0 111.148 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.3 mt -72.07 -37.79 69.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.867 0.867 . . . . 0.0 111.965 176.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.61 -41.24 85.41 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.805 -0.559 . . . . 0.0 112.005 172.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -67.89 -35.01 77.76 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.617 0.767 . . . . 0.0 112.578 172.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -86.8 2.93 47.21 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.41 34.98 7.16 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 124.436 1.017 . . . . 0.0 114.415 170.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -91.13 154.59 19.25 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.229 1.012 . . . . 0.0 111.599 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -76.36 121.46 23.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.412 1.485 . . . . 0.0 110.295 -171.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.17 -27.63 69.1 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -81.45 -12.92 58.74 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.294 1.038 . . . . 0.0 113.726 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 mt -106.89 -3.37 20.34 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.575 1.15 . . . . 0.0 113.013 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.5 tpp -53.1 -41.22 64.77 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.879 1.218 . . . . 0.0 112.504 -174.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -55.71 -49.44 73.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.476 1.11 . . . . 0.0 112.345 172.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -60.49 -46.87 88.52 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.527 1.131 . . . . 0.0 110.691 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -64.7 -49.7 69.87 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.518 1.127 . . . . 0.0 112.391 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 m -66.17 -33.91 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.154 0.888 . . . . 0.0 111.874 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -70.86 -43.73 67.86 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.603 0.638 . . . . 0.0 112.05 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.14 -53.8 45.1 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.317 1.447 . . . . 0.0 110.337 169.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.3 t -61.58 -41.28 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.759 0.823 . . . . 0.0 111.927 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -62.61 -35.41 79.47 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -86.79 -19.76 28.56 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -85.39 -60.91 1.89 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.92 0.888 . . . . 0.0 111.814 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.1 p -113.31 -9.56 13.39 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -171.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m 67.07 23.05 9.77 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.367 1.467 . . . . 0.0 112.993 -169.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 72.22 26.77 2.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.668 1.587 . . . . 0.0 112.148 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -118.4 118.64 32.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.31 1.444 . . . . 0.0 111.167 -175.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.0 p -68.17 -26.08 65.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 119.151 -0.452 . . . . 0.0 112.122 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.9 m -78.74 -5.79 54.16 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -71.37 144.98 49.67 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.82 -1.175 . . . . 0.0 112.485 -175.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.6 p -142.87 159.94 41.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.592 1.557 . . . . 0.0 112.073 173.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -148.95 137.96 21.44 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.533 1.533 . . . . 0.0 111.036 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 m -94.57 142.24 27.67 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.642 1.177 . . . . 0.0 110.468 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -95.45 157.15 16.02 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.661 1.584 . . . . 0.0 111.669 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.7 mtm105 -61.7 -24.39 66.74 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.376 1.071 . . . . 0.0 113.28 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -84.85 -3.34 58.62 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.429 1.492 . . . . 0.0 114.211 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.37 -2.76 71.38 Favored Glycine 0 N--CA 1.475 1.234 0 C-N-CA 125.128 1.347 . . . . 0.0 115.265 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.1 p -81.78 168.78 17.66 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.746 1.273 . . . . 0.0 111.468 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -134.58 157.62 46.1 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.51 -1.369 . . . . 0.0 111.517 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -109.32 141.57 41.46 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 126.851 2.061 . . . . 0.0 109.597 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.7 148.66 41.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.246 1.018 . . . . 0.0 113.511 -169.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.56 -176.82 52.06 Favored Glycine 0 N--CA 1.468 0.767 0 CA-C-O 121.998 0.776 . . . . 0.0 113.908 172.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -20.7 66.55 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -168.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -107.61 8.16 29.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.662 1.185 . . . . 0.0 111.717 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 51.15 58.67 5.29 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.777 1.631 . . . . 0.0 111.258 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.402 HD13 ' SG ' ' A' ' 90' ' ' CYS . 14.5 mt -82.86 130.67 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 125.327 1.451 . . . . 0.0 109.472 -171.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.25 134.42 34.91 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.418 0.687 . . . . 0.0 111.95 -170.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.48 -9.02 15.85 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.9 ttp180 -85.13 -16.21 41.24 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.809 2.044 . . . . 0.0 113.398 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -136.9 -48.59 0.61 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -168.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -113.08 -50.02 2.89 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -167.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 p -101.19 166.18 10.91 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.235 1.414 . . . . 0.0 113.073 173.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.4 t -110.99 130.94 55.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.478 1.511 . . . . 0.0 111.982 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -81.62 -14.09 57.15 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.19 -167.34 33.37 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.178 0.894 . . . . 0.0 112.571 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.21 7.66 6.03 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.5 t -156.51 142.29 12.79 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 125.263 1.425 . . . . 0.0 110.862 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -65.51 147.49 86.81 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.377 2.718 . . . . 0.0 110.571 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.64 43.64 0.03 OUTLIER Glycine 0 N--CA 1.473 1.116 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 -171.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -132.42 -169.64 2.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.986 1.314 . . . . 0.0 110.451 168.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.3 -25.54 61.96 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -168.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.7 m -103.29 4.68 36.81 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.8 m120 58.98 43.52 17.68 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.509 1.524 . . . . 0.0 112.799 168.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.8 p -147.35 147.47 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.4 1.48 . . . . 0.0 110.458 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -97.85 134.64 40.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.281 1.432 . . . . 0.0 110.538 -176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 81.8 m -49.64 -36.57 25.06 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.412 1.485 . . . . 0.0 113.943 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.1 t -70.62 -29.2 65.51 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -71.89 -18.9 62.01 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.765 -1.209 . . . . 0.0 112.162 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.3 mt -74.74 -14.29 60.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.855 0.862 . . . . 0.0 112.464 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt -94.6 8.56 41.9 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.787 1.635 . . . . 0.0 112.819 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.1 p -76.69 177.41 7.57 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.466 1.506 . . . . 0.0 111.996 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -88.5 9.42 23.8 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.725 1.21 . . . . 0.0 113.702 -174.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -132.09 125.41 31.28 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.971 1.709 . . . . 0.0 108.322 169.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.2 pt -66.76 -14.4 17.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.769 1.228 . . . . 0.0 113.137 -174.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.8 t -53.12 -36.35 60.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.283 1.833 . . . . 0.0 114.623 -169.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -62.48 -32.88 73.85 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.61 -0.682 . . . . 0.0 112.19 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.13 -39.82 15.19 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.701 1.2 . . . . 0.0 111.53 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.4 -40.85 85.64 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.174 0.99 . . . . 0.0 113.393 -175.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -70.21 -33.38 71.63 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.036 -1.04 . . . . 0.0 112.538 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.402 ' SG ' HD13 ' A' ' 56' ' ' ILE . 30.4 t -66.3 -39.46 89.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.852 0.861 . . . . 0.0 111.129 171.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.72 83.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.52 1.128 . . . . 0.0 112.932 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -61.4 -42.94 99.53 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.27 1.395 . . . . 0.0 112.232 171.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -67.63 -22.3 65.34 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 94.2 mt -77.78 -46.86 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.443 -0.786 . . . . 0.0 110.483 168.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -28.41 62.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.696 1.198 . . . . 0.0 113.607 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -57.23 -23.31 47.15 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.84 1.656 . . . . 0.0 114.693 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -113.62 -37.53 4.57 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.919 1.688 . . . . 0.0 111.901 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -144.92 88.25 1.89 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.184 1.794 . . . . 0.0 110.53 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -53.79 -39.47 65.47 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -170.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -139.93 -14.49 1.05 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.11 1.364 . . . . 0.0 113.251 173.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.66 -14.34 62.43 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -173.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.28 -9.07 58.32 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 170.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -131.82 110.81 11.1 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.766 1.227 . . . . 0.0 113.036 -174.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -30.65 65.18 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.403 1.481 . . . . 0.0 112.488 171.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -56.81 -21.36 36.42 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.334 1.445 . . . . 0.0 112.953 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -93.45 -63.0 1.26 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 117.895 0.848 . . . . 0.0 111.102 167.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -65.2 -19.34 65.93 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -169.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -99.12 -4.03 33.2 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -135.64 -28.28 1.12 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -171.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 70.9 m -89.64 6.23 42.22 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.176 1.39 . . . . 0.0 114.054 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -74.22 -25.53 59.71 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.484 1.113 . . . . 0.0 112.855 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.16 -53.35 2.84 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 124.209 0.909 . . . . 0.0 112.615 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.7 t -169.16 170.14 8.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.854 1.662 . . . . 0.0 111.219 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 80.9 mt -120.86 154.28 57.52 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 126.368 1.867 . . . . 0.0 112.11 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -67.87 156.08 67.31 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.844 3.029 . . . . 0.0 111.551 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -81.32 152.31 27.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.431 1.093 . . . . 0.0 112.56 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.8 pt -133.33 -4.13 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.869 2.067 . . . . 0.0 113.346 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.1 m -69.62 -8.81 50.74 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.653 -1.279 . . . . 0.0 114.107 -174.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.7 p -86.22 -9.16 57.07 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.945 1.698 . . . . 0.0 113.952 170.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.034 1.733 . . . . 0.0 112.472 -173.296 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.104 0 N-CA-C 111.869 -0.492 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -156.08 165.31 36.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.876 1.671 . . . . 0.0 112.319 -170.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 m -111.76 126.29 54.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.423 1.089 . . . . 0.0 110.128 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -89.64 157.22 18.11 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.5 1.52 . . . . 0.0 110.878 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 t -95.3 161.92 13.89 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.966 1.306 . . . . 0.0 108.702 168.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -56.54 -49.48 74.67 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.314 0.961 . . . . 0.0 112.101 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -60.66 -38.22 84.16 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.657 -0.652 . . . . 0.0 112.512 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.69 -46.83 88.73 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 123.983 0.801 . . . . 0.0 111.687 174.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.58 -49.24 76.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.018 1.327 . . . . 0.0 111.931 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -49.43 -46.6 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.99 0.916 . . . . 0.0 110.422 173.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -69.08 -40.82 78.21 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.932 0.893 . . . . 0.0 113.085 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.12 -42.51 96.81 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.388 1.075 . . . . 0.0 110.889 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.96 -37.67 69.89 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.249 1.019 . . . . 0.0 112.29 176.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -57.7 -41.51 81.83 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.954 0.501 . . . . 0.0 111.888 172.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.46 -33.87 76.03 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.544 0.737 . . . . 0.0 112.606 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -87.56 4.65 42.82 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.963 1.305 . . . . 0.0 114.419 -175.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.83 21.63 27.93 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.639 1.114 . . . . 0.0 115.025 169.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 9.5 m-85 -83.91 139.87 32.33 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.447 1.123 . . . . 0.0 109.831 173.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -75.88 137.1 40.2 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.36 0.664 . . . . 0.0 111.888 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.32 -27.77 68.73 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -80.99 -15.97 54.72 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 175.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.4 mt -98.76 -13.9 19.98 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.776 1.231 . . . . 0.0 112.489 173.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -51.51 -41.82 61.27 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.282 1.433 . . . . 0.0 113.014 -173.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -55.78 -49.86 72.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.742 0.817 . . . . 0.0 112.11 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -61.82 -45.52 93.46 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.878 0.871 . . . . 0.0 110.523 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -64.47 -49.92 69.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.483 0.713 . . . . 0.0 112.737 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 m -66.68 -35.49 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.313 0.96 . . . . 0.0 111.706 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.8 -41.42 71.62 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.754 0.706 . . . . 0.0 111.833 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -55.61 -54.28 46.03 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.099 1.36 . . . . 0.0 110.006 170.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.99 -39.99 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.359 0.664 . . . . 0.0 111.866 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -64.81 -31.59 72.89 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -92.31 -15.17 27.73 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -87.66 -67.69 0.81 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.858 1.263 . . . . 0.0 111.408 173.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.3 p -107.17 -12.61 15.35 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.6 m 65.22 33.89 8.91 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.08 1.352 . . . . 0.0 112.998 -169.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.3 mtm-85 71.66 27.15 2.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.877 1.671 . . . . 0.0 112.496 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -118.45 115.11 23.96 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.426 1.49 . . . . 0.0 111.617 -173.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -71.16 -24.28 62.22 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.4 m -77.53 -2.06 33.67 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.545 1.066 . . . . 0.0 113.222 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.93 142.73 38.19 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.618 1.167 . . . . 0.0 113.016 -172.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 p -145.96 154.0 41.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.998 2.119 . . . . 0.0 111.004 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -150.82 123.87 8.76 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.455 0.702 . . . . 0.0 111.656 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.6 m -86.21 144.64 27.35 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.058 1.343 . . . . 0.0 110.142 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -118.03 159.83 22.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.558 1.543 . . . . 0.0 111.741 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -62.87 -23.41 67.3 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.438 1.095 . . . . 0.0 113.725 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -77.51 -7.85 56.89 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.26 1.424 . . . . 0.0 113.733 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.51 1.73 74.13 Favored Glycine 0 N--CA 1.475 1.236 0 C-N-CA 125.628 1.585 . . . . 0.0 114.728 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 p -88.27 163.04 16.29 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.171 1.388 . . . . 0.0 111.859 171.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -124.84 147.15 48.91 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.869 1.268 . . . . 0.0 110.95 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.61 149.21 21.7 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.828 1.651 . . . . 0.0 110.666 171.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -143.03 144.84 32.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.667 1.587 . . . . 0.0 112.836 -171.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.29 -176.31 53.5 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-O 122.196 0.886 . . . . 0.0 114.91 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.09 -27.25 69.26 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -168.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -103.09 11.03 37.66 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.097 0.959 . . . . 0.0 111.62 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 54.63 53.01 11.23 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.18 1.392 . . . . 0.0 110.58 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.6 mt -86.46 131.33 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.052 1.341 . . . . 0.0 110.003 -170.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -96.04 140.39 30.84 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -63.04 -10.17 13.08 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 -176.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -110.02 1.12 18.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.03 1.732 . . . . 0.0 112.766 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -130.19 -42.73 1.2 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -171.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -144.58 -36.76 0.31 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -168.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.0 p -109.38 168.02 9.69 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.433 1.093 . . . . 0.0 111.418 168.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.39 138.96 52.74 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.624 1.169 . . . . 0.0 112.399 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -91.54 -10.2 41.54 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.486 1.661 . . . . 0.0 115.486 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.68 -156.5 9.59 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 123.661 0.648 . . . . 0.0 113.534 -169.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.45 1.46 22.13 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -159.98 156.75 24.47 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 126.31 1.844 . . . . 0.0 111.235 -176.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -68.29 161.66 43.72 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.587 2.858 . . . . 0.0 110.74 169.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 163.52 73.95 0.03 OUTLIER Glycine 0 N--CA 1.473 1.105 0 O-C-N 121.994 -0.441 . . . . 0.0 114.121 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -153.58 -177.86 6.64 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.569 2.348 . . . . 0.0 110.363 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.39 -35.64 63.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.363 1.065 . . . . 0.0 112.808 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 63.7 m -97.24 -0.07 47.35 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 53.54 49.89 18.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.601 1.56 . . . . 0.0 113.048 169.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.4 p -147.78 143.9 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.599 1.16 . . . . 0.0 111.412 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -96.94 135.8 38.41 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.569 1.547 . . . . 0.0 111.307 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 72.6 m -48.41 -37.45 17.04 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.101 1.76 . . . . 0.0 114.308 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -70.24 -32.5 70.38 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.7 -16.27 63.31 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.763 -1.211 . . . . 0.0 112.923 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.0 mt -77.26 -13.29 59.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.057 0.943 . . . . 0.0 112.554 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.3 mt -96.24 5.75 50.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.452 1.501 . . . . 0.0 113.343 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -78.33 179.06 7.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.169 1.388 . . . . 0.0 111.823 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -85.83 16.23 4.23 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.853 1.261 . . . . 0.0 113.144 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.56 123.16 13.26 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.237 2.215 . . . . 0.0 109.715 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.3 pt -78.02 -13.34 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -169.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.46 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -62.5 -26.88 68.78 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -166.316 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -65.06 -32.28 73.92 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.016 -1.052 . . . . 0.0 112.113 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.04 -39.25 18.23 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.259 1.023 . . . . 0.0 111.281 174.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 85' ' ' THR . . . -69.3 -40.19 77.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.968 0.907 . . . . 0.0 113.095 -176.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -67.07 -35.37 79.69 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.977 -1.077 . . . . 0.0 112.428 173.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.8 t -65.1 -40.77 95.02 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.794 0.837 . . . . 0.0 110.744 172.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.11 -35.93 76.32 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.237 1.015 . . . . 0.0 112.798 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.405 ' HD3' ' CE1' ' A' ' 18' ' ' PHE . 19.9 mmmt -64.82 -43.24 93.76 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.217 1.371 . . . . 0.0 112.625 172.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -68.47 -22.79 64.54 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.321 -0.862 . . . . 0.0 112.853 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 93.6 mt -74.26 -47.3 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 121.305 -0.872 . . . . 0.0 109.913 167.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -28.88 63.4 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.675 1.19 . . . . 0.0 113.995 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -56.29 -26.11 50.75 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.294 1.438 . . . . 0.0 114.559 169.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -112.48 -32.74 6.38 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.162 1.785 . . . . 0.0 112.629 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -148.45 81.38 1.46 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.083 2.153 . . . . 0.0 110.039 -173.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -38.66 42.79 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -168.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -141.6 -1.86 1.26 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.667 1.187 . . . . 0.0 113.063 169.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.63 -18.17 57.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.225 1.81 . . . . 0.0 114.492 -168.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.91 -3.87 37.8 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.779 1.232 . . . . 0.0 113.708 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -123.85 147.91 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.018 1.727 . . . . 0.0 111.703 -176.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -89.85 -39.8 12.84 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.643 0.777 . . . . 0.0 113.049 -171.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.39 -29.81 75.67 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 124.059 0.838 . . . . 0.0 113.053 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -64.1 -43.96 93.77 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 117.879 0.839 . . . . 0.0 113.007 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -89.62 -16.5 30.38 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -98.32 -22.5 16.08 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -133.23 -45.86 0.84 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 30.2 m -70.55 -7.7 45.78 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -172.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -73.64 -22.54 59.95 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.982 0.913 . . . . 0.0 112.696 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.54 -35.74 16.07 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 123.741 0.686 . . . . 0.0 113.552 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 t -170.98 150.04 3.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.805 1.642 . . . . 0.0 111.116 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.9 mt -119.5 149.18 47.34 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 125.755 1.622 . . . . 0.0 110.96 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -74.69 166.76 28.62 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.911 3.074 . . . . 0.0 111.621 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -77.31 147.81 36.01 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.756 0.822 . . . . 0.0 112.719 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 49.7 pt -127.79 -6.05 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.515 1.526 . . . . 0.0 113.483 169.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.5 m -69.93 -21.5 63.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.012 1.278 . . . . 0.0 112.645 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.7 t -80.95 -4.52 55.27 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.442 1.097 . . . . 0.0 113.358 169.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 C--O 1.249 1.065 0 C-N-CA 125.473 1.509 . . . . 0.0 112.43 -176.258 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.046 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -154.61 164.17 39.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.078 1.751 . . . . 0.0 112.546 -172.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 m -112.99 131.57 55.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.71 1.204 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -95.6 160.61 14.42 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.712 1.605 . . . . 0.0 111.482 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -102.79 161.63 13.58 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.487 1.515 . . . . 0.0 107.857 166.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -57.54 -44.12 84.93 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.163 0.892 . . . . 0.0 111.925 -174.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.68 -26.63 68.75 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.92 -49.26 6.53 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.499 1.047 . . . . 0.0 111.197 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.47 -46.59 89.4 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.663 1.185 . . . . 0.0 112.355 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.3 t -51.7 -44.28 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.251 0.932 . . . . 0.0 110.717 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -70.99 -42.49 69.6 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.148 0.979 . . . . 0.0 112.912 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.25 -41.38 96.81 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.016 1.326 . . . . 0.0 111.134 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -75.29 -40.77 58.34 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.052 0.941 . . . . 0.0 112.252 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -54.99 -41.96 71.87 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.512 0.596 . . . . 0.0 111.589 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -68.59 -38.24 80.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.736 1.614 . . . . 0.0 112.738 174.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -83.49 0.01 48.26 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.07 40.73 3.68 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 124.716 1.151 . . . . 0.0 114.559 171.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -106.43 140.04 39.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.163 1.385 . . . . 0.0 109.624 173.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -77.18 137.61 38.97 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.256 0.623 . . . . 0.0 112.092 -172.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.4 -26.83 68.11 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -82.55 -15.16 53.32 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.1 mt -100.11 -13.05 19.15 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.937 1.295 . . . . 0.0 112.417 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.5 tpp -52.34 -43.74 64.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.372 1.469 . . . . 0.0 113.101 -173.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -55.18 -49.35 72.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.113 0.965 . . . . 0.0 112.221 174.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.04 -45.12 96.07 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.817 0.847 . . . . 0.0 110.779 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -66.11 -48.98 69.13 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.848 0.859 . . . . 0.0 112.777 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 m -66.29 -34.36 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.486 1.039 . . . . 0.0 111.747 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.6 t -70.01 -43.12 72.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.459 0.572 . . . . 0.0 111.831 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -54.42 -55.22 30.97 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.162 1.385 . . . . 0.0 110.245 169.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.4 t -61.58 -41.15 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.873 0.869 . . . . 0.0 112.391 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -63.1 -41.86 99.47 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.331 0.514 . . . . 0.0 112.164 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -81.58 -19.11 42.63 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -85.61 -56.95 3.26 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.067 0.947 . . . . 0.0 111.899 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 m -124.79 -0.95 7.94 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -169.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m 65.61 21.22 11.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.644 1.578 . . . . 0.0 113.183 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 63.9 28.47 14.57 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.98 1.712 . . . . 0.0 113.252 -171.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -110.93 118.83 37.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.162 1.385 . . . . 0.0 110.3 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.1 p -68.51 -26.57 65.51 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 119.171 -0.442 . . . . 0.0 111.99 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.9 m -77.93 -3.97 44.51 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -73.35 142.36 47.06 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.958 -1.089 . . . . 0.0 113.023 -173.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.5 p -145.21 155.4 43.23 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.14 1.776 . . . . 0.0 111.965 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -148.0 130.97 16.22 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.036 1.334 . . . . 0.0 111.319 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.9 m -87.89 144.3 26.65 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.907 1.283 . . . . 0.0 110.174 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -108.49 157.95 17.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.111 1.364 . . . . 0.0 111.533 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.77 -23.83 66.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.459 1.104 . . . . 0.0 113.311 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -68.83 -18.55 64.19 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.705 1.602 . . . . 0.0 114.136 173.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.32 -1.78 70.2 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.223 1.392 . . . . 0.0 114.267 -175.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.4 p -85.79 158.93 19.87 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.131 1.372 . . . . 0.0 111.21 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -126.37 152.46 46.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.685 1.194 . . . . 0.0 111.102 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -101.25 145.01 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 126.711 2.004 . . . . 0.0 109.946 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -143.64 150.23 38.45 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.019 1.327 . . . . 0.0 113.233 -172.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.98 -177.95 47.26 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 121.634 -0.666 . . . . 0.0 113.859 172.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.94 -13.85 60.5 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 -169.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -114.77 14.12 17.39 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.864 1.265 . . . . 0.0 111.388 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 45.23 58.94 3.78 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.275 1.83 . . . . 0.0 111.784 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.418 HD13 ' SG ' ' A' ' 90' ' ' CYS . 12.5 mt -83.74 130.3 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.937 1.295 . . . . 0.0 110.074 -171.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -91.31 138.35 31.65 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -66.61 -10.41 45.45 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -83.93 -18.59 36.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.327 1.051 . . . . 0.0 113.146 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -132.64 -58.25 0.93 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -167.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -100.73 -52.22 3.38 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.737 0.815 . . . . 0.0 112.899 -167.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -101.38 162.7 12.71 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.313 1.445 . . . . 0.0 111.744 169.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.9 t -110.27 137.33 48.15 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.868 1.667 . . . . 0.0 112.685 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -10.94 59.76 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 176.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.18 -167.9 21.85 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.07 0.843 . . . . 0.0 113.453 -171.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.72 -9.72 59.69 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.5 m -140.31 152.12 66.08 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.418 1.887 . . . . 0.0 110.779 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -68.6 154.31 71.78 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.425 2.75 . . . . 0.0 110.875 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.34 41.16 0.02 OUTLIER Glycine 0 N--CA 1.475 1.264 0 N-CA-C 116.03 1.172 . . . . 0.0 116.03 -174.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -128.54 -173.3 2.92 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.331 1.853 . . . . 0.0 110.305 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.44 -26.44 61.18 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -169.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 63.3 m -106.16 7.1 31.46 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.571 1.149 . . . . 0.0 113.906 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.25 48.84 16.44 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.867 1.667 . . . . 0.0 112.521 172.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -151.06 152.67 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.409 1.484 . . . . 0.0 110.518 -171.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -106.58 136.4 46.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.135 1.774 . . . . 0.0 110.97 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.1 m -50.93 -36.64 39.58 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.174 1.389 . . . . 0.0 114.057 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -71.53 -32.01 67.69 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -71.17 -16.06 62.51 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.809 -1.182 . . . . 0.0 112.605 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.89 -13.92 60.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.386 0.675 . . . . 0.0 112.74 173.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.9 mt -94.97 8.84 41.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.361 1.464 . . . . 0.0 112.854 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.5 p -75.92 177.84 6.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.884 1.674 . . . . 0.0 112.131 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -90.66 12.19 19.76 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.927 1.291 . . . . 0.0 113.738 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -134.84 125.7 27.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.043 1.737 . . . . 0.0 108.295 169.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 pt -67.65 -13.67 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.485 1.114 . . . . 0.0 113.163 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -53.79 -35.66 61.6 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.086 1.754 . . . . 0.0 114.277 -170.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.12 -34.13 75.77 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.599 -0.688 . . . . 0.0 112.195 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.04 -39.9 15.2 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.913 1.285 . . . . 0.0 111.587 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.92 91.79 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.365 1.066 . . . . 0.0 113.217 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.99 -33.45 74.66 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.867 -1.145 . . . . 0.0 112.497 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.418 ' SG ' HD13 ' A' ' 56' ' ' ILE . 39.0 t -68.51 -36.42 78.85 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.057 0.943 . . . . 0.0 111.409 171.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.95 89.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.155 0.982 . . . . 0.0 112.663 170.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.1 -42.15 98.93 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.223 1.374 . . . . 0.0 112.252 171.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -65.38 -23.23 66.92 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.816 0.846 . . . . 0.0 113.107 177.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.6 mt -79.02 -47.34 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.882 0.873 . . . . 0.0 110.622 168.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -26.23 58.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.997 1.319 . . . . 0.0 113.725 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -58.23 -16.28 13.24 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.275 1.83 . . . . 0.0 115.152 169.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.8 mmt-85 -128.77 -31.69 2.17 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.595 1.558 . . . . 0.0 112.938 175.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.07 84.05 1.95 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.816 1.646 . . . . 0.0 110.494 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.56 -39.98 50.86 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -169.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -143.44 -6.53 0.8 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.601 1.56 . . . . 0.0 113.106 171.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -79.99 -12.66 59.69 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -169.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.03 -5.04 36.25 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.004 0.922 . . . . 0.0 113.304 171.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -128.1 143.62 51.07 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.773 1.629 . . . . 0.0 112.329 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -90.09 -30.95 17.35 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.79 1.236 . . . . 0.0 112.616 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.85 -18.99 60.41 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 125.317 1.437 . . . . 0.0 113.579 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -79.75 -70.65 0.5 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 117.964 0.882 . . . . 0.0 110.858 168.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -63.56 -22.61 66.99 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -82.16 -7.89 59.63 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -138.72 -44.55 0.48 Allowed 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -174.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.9 m -69.52 -19.18 63.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.438 1.495 . . . . 0.0 114.333 -173.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.96 -14.88 58.26 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.936 0.894 . . . . 0.0 112.333 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.59 -50.81 2.09 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.213 1.387 . . . . 0.0 112.072 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.3 t -166.73 152.55 8.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.475 1.11 . . . . 0.0 112.354 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 79.0 mt -117.38 152.74 49.7 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.515 1.526 . . . . 0.0 112.306 175.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -70.64 153.69 64.74 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.821 3.014 . . . . 0.0 110.735 171.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -82.52 149.57 27.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.252 1.025 . . . . 0.0 111.875 171.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.4 pt -132.65 0.21 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.104 2.162 . . . . 0.0 112.802 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 m -64.73 -12.26 45.09 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -172.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.9 p -88.56 -9.62 51.67 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.963 1.705 . . . . 0.0 114.049 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 39.9 m . . . . . 0 C--O 1.251 1.148 0 C-N-CA 125.979 1.712 . . . . 0.0 112.489 -175.51 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.101 0 N-CA-C 111.829 -0.508 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -154.56 161.87 41.42 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.566 1.546 . . . . 0.0 112.626 -170.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 m -112.31 132.42 54.98 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.044 1.338 . . . . 0.0 110.116 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -99.5 156.21 17.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.76 1.624 . . . . 0.0 111.006 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 t -94.93 162.14 13.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.937 1.295 . . . . 0.0 108.596 167.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -56.39 -48.05 77.69 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.342 0.974 . . . . 0.0 111.984 -174.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -61.04 -39.01 88.16 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.554 -0.717 . . . . 0.0 112.775 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.85 -45.66 91.88 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 123.92 0.771 . . . . 0.0 111.64 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.08 -49.21 75.38 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.933 1.293 . . . . 0.0 111.94 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.6 t -49.54 -45.69 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.919 0.888 . . . . 0.0 110.545 174.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -69.78 -41.98 74.38 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.133 0.973 . . . . 0.0 113.471 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -64.93 -37.33 87.29 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.606 1.162 . . . . 0.0 111.364 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.34 -39.16 54.69 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.865 0.866 . . . . 0.0 112.136 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -56.62 -41.27 76.81 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.877 -0.514 . . . . 0.0 111.544 171.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -64.06 -36.24 83.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.572 1.549 . . . . 0.0 112.725 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -91.45 4.53 52.27 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.357 1.463 . . . . 0.0 114.857 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.81 36.56 6.37 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.409 1.004 . . . . 0.0 114.464 171.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -99.89 137.42 38.37 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.902 1.281 . . . . 0.0 109.369 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -76.62 138.69 40.26 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.387 0.675 . . . . 0.0 111.983 -172.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.26 -26.86 68.05 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -82.6 -15.88 50.53 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.9 mt -99.22 -15.46 18.89 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.871 1.268 . . . . 0.0 112.324 173.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.9 tpp -50.85 -44.02 59.37 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.54 1.536 . . . . 0.0 112.999 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -55.21 -48.61 73.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.195 0.998 . . . . 0.0 112.564 174.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.78 -46.14 90.85 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.519 0.727 . . . . 0.0 110.736 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -64.38 -48.89 73.74 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.723 0.809 . . . . 0.0 112.533 -177.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 m -67.08 -34.93 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.352 0.978 . . . . 0.0 111.802 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.03 -32.99 67.68 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.787 0.721 . . . . 0.0 112.701 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 tt -65.54 -54.39 28.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.943 1.697 . . . . 0.0 109.868 169.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 t -60.23 -40.11 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.851 0.86 . . . . 0.0 111.868 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -62.86 -28.71 70.22 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -87.15 -30.47 21.02 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.44 1.018 . . . . 0.0 113.49 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -79.89 -57.06 3.83 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.633 0.773 . . . . 0.0 111.421 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.1 p -116.16 -9.12 11.69 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -175.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m 63.67 27.97 14.91 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.854 1.261 . . . . 0.0 112.488 -168.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 70.8 29.85 3.06 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.42 1.488 . . . . 0.0 112.252 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -120.76 116.9 26.14 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.286 1.434 . . . . 0.0 111.649 -175.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -68.15 -26.97 66.04 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 122.199 -0.313 . . . . 0.0 111.629 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.5 m -74.0 -5.19 39.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -75.66 143.49 42.18 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.05 -1.031 . . . . 0.0 113.097 -172.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 p -143.19 153.49 42.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.562 1.945 . . . . 0.0 111.375 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -148.63 127.1 12.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.41 1.484 . . . . 0.0 110.624 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.9 m -96.02 138.72 33.25 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.946 1.298 . . . . 0.0 110.252 -176.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -101.82 159.34 15.42 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.382 1.473 . . . . 0.0 111.894 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -62.91 -24.38 67.82 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.394 1.078 . . . . 0.0 113.128 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -63.43 -28.24 69.84 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.919 1.688 . . . . 0.0 113.949 171.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.7 -11.08 59.31 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.446 1.498 . . . . 0.0 113.484 -169.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -71.47 160.03 33.45 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.618 1.209 . . . . 0.0 111.711 169.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -131.44 149.51 52.5 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.749 1.22 . . . . 0.0 111.064 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -101.03 142.17 32.87 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.326 1.85 . . . . 0.0 110.023 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -139.76 147.01 40.22 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.875 1.27 . . . . 0.0 113.261 -169.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.85 -176.31 53.01 Favored Glycine 0 N--CA 1.468 0.832 0 O-C-N 121.498 -0.751 . . . . 0.0 114.112 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -24.3 67.7 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -168.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -104.06 7.58 36.44 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.434 1.094 . . . . 0.0 111.927 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 50.31 59.38 4.6 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.77 1.628 . . . . 0.0 111.549 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.1 mt -85.08 134.88 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 125.231 1.412 . . . . 0.0 109.537 -173.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -96.58 138.1 34.66 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -169.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -65.36 -12.95 57.05 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -91.34 -16.14 27.95 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.606 1.162 . . . . 0.0 112.868 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -129.29 -33.58 1.91 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 116.896 2.184 . . . . 0.0 116.896 -167.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -137.5 -42.8 0.55 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -168.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.0 p -107.52 167.48 9.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.997 0.919 . . . . 0.0 111.525 168.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.37 137.76 53.52 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.649 1.18 . . . . 0.0 112.581 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 pttm -90.9 -9.24 46.96 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.728 1.751 . . . . 0.0 115.728 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.02 -166.08 20.63 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.204 0.906 . . . . 0.0 112.542 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.59 -3.56 35.02 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.7 m -145.18 152.49 50.94 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 125.989 1.716 . . . . 0.0 110.987 -174.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -69.34 161.18 46.91 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.369 2.712 . . . . 0.0 110.69 170.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.13 72.36 0.03 OUTLIER Glycine 0 N--CA 1.472 1.077 0 O-C-N 121.968 -0.457 . . . . 0.0 113.902 -176.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -153.18 -178.75 7.15 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.363 2.265 . . . . 0.0 110.671 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.93 -25.83 67.05 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.461 1.105 . . . . 0.0 113.333 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 34.2 m -99.67 -3.45 33.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.929 1.292 . . . . 0.0 113.864 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.1 t30 52.51 54.64 10.31 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.223 1.809 . . . . 0.0 113.207 172.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.16 147.52 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.581 1.152 . . . . 0.0 111.557 -172.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -99.77 135.25 41.47 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.044 1.737 . . . . 0.0 110.967 -177.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.7 m -48.67 -38.34 20.95 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.566 1.546 . . . . 0.0 113.397 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -24.55 61.91 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.305 1.842 . . . . 0.0 114.138 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -79.17 -7.41 58.19 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.405 1.002 . . . . 0.0 112.263 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.01 -15.78 37.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.983 0.913 . . . . 0.0 112.191 174.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.4 mt -93.54 4.6 53.69 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.717 1.607 . . . . 0.0 113.514 -177.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 t -84.34 -175.48 5.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.453 1.501 . . . . 0.0 112.013 -174.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -89.56 20.19 4.11 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.06 1.744 . . . . 0.0 113.218 -172.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -150.78 123.83 8.76 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.634 2.374 . . . . 0.0 109.404 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.4 pt -80.22 -13.05 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -169.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -63.03 -27.14 69.21 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -166.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -63.97 -33.22 75.24 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.121 -0.987 . . . . 0.0 112.121 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.97 -39.71 19.39 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.88 0.872 . . . . 0.0 111.246 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 85' ' ' THR . . . -66.84 -42.21 86.13 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -177.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.42 -35.25 80.38 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.771 -1.206 . . . . 0.0 112.382 174.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.22 -37.27 80.66 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.917 0.887 . . . . 0.0 111.167 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.21 89.49 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.946 0.898 . . . . 0.0 112.513 170.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -62.86 -42.3 99.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.503 1.501 . . . . 0.0 112.523 170.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -63.28 -28.0 69.72 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.901 0.881 . . . . 0.0 112.744 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.31 -45.64 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.771 0.828 . . . . 0.0 111.45 169.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -28.72 62.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.772 1.229 . . . . 0.0 113.407 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -59.33 -22.94 62.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.799 1.64 . . . . 0.0 114.806 169.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -107.29 -42.36 4.86 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.125 1.77 . . . . 0.0 111.312 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -147.97 97.41 2.79 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.387 1.875 . . . . 0.0 110.494 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -53.04 -38.99 62.88 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -170.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -143.6 -18.17 0.61 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.887 1.275 . . . . 0.0 113.588 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.7 -14.83 62.6 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -173.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.19 -9.68 56.49 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.248 1.019 . . . . 0.0 113.716 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -120.21 122.98 42.14 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.34 1.456 . . . . 0.0 111.55 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -71.26 -31.56 67.66 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -171.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.27 -37.06 94.0 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 123.939 0.781 . . . . 0.0 112.688 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -64.34 -45.44 87.83 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.956 0.878 . . . . 0.0 112.623 177.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -77.46 -10.22 59.34 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -91.98 -35.52 13.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.88 1.272 . . . . 0.0 113.693 174.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 -27.46 1.22 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -169.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.46 -8.24 55.63 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.754 -1.216 . . . . 0.0 113.677 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -77.66 -22.54 50.45 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.447 1.099 . . . . 0.0 112.679 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.23 -35.47 7.53 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.125 0.869 . . . . 0.0 113.94 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 m -170.76 153.74 4.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.788 2.035 . . . . 0.0 111.082 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 89.2 mt -121.34 151.69 56.51 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.769 1.628 . . . . 0.0 111.123 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -72.02 152.13 56.73 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.82 3.013 . . . . 0.0 110.693 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -78.56 148.05 33.51 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 122.123 0.963 . . . . 0.0 111.611 170.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.6 pt -131.12 0.05 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.941 2.096 . . . . 0.0 112.715 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.0 m -64.42 -13.35 50.78 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -173.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.4 p -88.74 -10.25 49.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.994 1.718 . . . . 0.0 114.02 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.7 m . . . . . 0 C--O 1.254 1.307 0 C-N-CA 126.043 1.737 . . . . 0.0 112.317 -175.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 N-CA-C 112.371 -0.292 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -160.14 164.13 33.19 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.704 2.002 . . . . 0.0 112.288 -172.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.5 m -119.89 134.47 55.23 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.826 1.25 . . . . 0.0 110.708 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -101.59 160.68 14.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.626 1.57 . . . . 0.0 111.853 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t -104.67 161.93 13.72 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.919 1.688 . . . . 0.0 108.191 167.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -57.14 -48.81 77.77 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.236 0.925 . . . . 0.0 112.36 -171.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.8 p -63.96 -28.33 69.74 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.07 -48.63 31.45 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.176 0.893 . . . . 0.0 111.226 172.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.16 -47.72 83.27 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.605 1.162 . . . . 0.0 112.271 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -49.48 -45.73 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.217 0.917 . . . . 0.0 110.564 174.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -70.26 -41.73 73.08 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.062 0.945 . . . . 0.0 113.302 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.08 -40.48 95.96 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.514 1.126 . . . . 0.0 111.448 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.37 -38.4 63.18 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.217 1.007 . . . . 0.0 112.143 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -58.27 -39.69 79.89 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.401 0.546 . . . . 0.0 112.095 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -68.26 -29.68 68.53 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.789 0.836 . . . . 0.0 112.89 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -94.46 4.69 53.53 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.2 1.4 . . . . 0.0 114.51 -175.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.99 35.76 6.62 Favored Glycine 0 N--CA 1.472 1.094 0 C-N-CA 124.29 0.948 . . . . 0.0 114.394 171.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -100.09 137.79 38.05 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.844 1.258 . . . . 0.0 109.581 173.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -77.58 138.76 39.33 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.384 0.674 . . . . 0.0 111.897 -172.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.19 -26.92 68.05 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -82.48 -16.04 50.27 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.0 mt -99.39 -14.45 19.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.879 1.272 . . . . 0.0 112.407 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -51.43 -43.3 62.0 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.465 1.506 . . . . 0.0 113.034 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -55.03 -50.14 69.79 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.221 1.008 . . . . 0.0 112.521 173.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -60.31 -44.79 95.12 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.651 0.781 . . . . 0.0 110.707 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -66.91 -48.65 68.03 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.874 0.869 . . . . 0.0 112.969 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 m -66.09 -34.21 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.369 0.986 . . . . 0.0 111.683 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.5 t -70.45 -43.63 69.45 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.518 0.599 . . . . 0.0 111.871 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.16 -55.37 24.67 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.376 1.471 . . . . 0.0 110.304 169.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -62.07 -42.41 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.72 0.808 . . . . 0.0 112.087 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -62.97 -38.03 89.46 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -83.9 -17.48 40.62 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -87.08 -56.9 3.17 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.123 0.969 . . . . 0.0 112.158 174.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.1 p -117.86 -9.77 10.58 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -173.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 m 67.98 24.01 8.05 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.7 1.6 . . . . 0.0 112.356 -168.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 66.59 33.9 6.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.113 1.765 . . . . 0.0 112.406 -174.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -116.78 115.59 25.88 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.515 1.126 . . . . 0.0 110.896 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.7 p -67.53 -28.04 67.47 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 122.447 -0.158 . . . . 0.0 111.017 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.7 m -73.1 -5.87 41.93 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -75.65 143.57 42.15 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.991 -1.068 . . . . 0.0 113.244 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 p -146.99 152.67 39.0 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.435 1.894 . . . . 0.0 111.405 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -150.54 125.1 9.63 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.328 1.451 . . . . 0.0 111.224 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.0 m -87.38 140.04 29.94 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.939 1.296 . . . . 0.0 110.054 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -104.27 161.48 14.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.875 1.27 . . . . 0.0 112.625 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -64.69 -23.08 67.14 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.429 1.092 . . . . 0.0 113.247 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -85.57 5.51 31.3 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.731 1.612 . . . . 0.0 113.481 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.82 -1.71 88.41 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 125.715 1.626 . . . . 0.0 115.486 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.0 p -82.3 170.86 14.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.729 1.212 . . . . 0.0 111.84 170.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -134.09 147.97 50.95 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.472 1.109 . . . . 0.0 110.903 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -101.66 143.01 32.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.292 1.837 . . . . 0.0 109.969 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -140.05 149.51 43.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.306 1.442 . . . . 0.0 112.928 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.54 -176.97 51.89 Favored Glycine 0 N--CA 1.468 0.825 0 O-C-N 121.392 -0.818 . . . . 0.0 114.216 169.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.82 -24.29 67.69 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 -168.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -104.54 7.18 35.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.373 1.069 . . . . 0.0 111.638 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 51.32 60.08 4.13 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.85 1.66 . . . . 0.0 111.385 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.411 HD13 ' SG ' ' A' ' 90' ' ' CYS . 13.7 mt -87.03 136.94 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 125.538 1.535 . . . . 0.0 110.265 -172.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -93.42 138.88 31.31 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -169.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -67.01 -11.13 56.14 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -99.88 -12.47 19.82 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.755 1.222 . . . . 0.0 112.948 -176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -131.67 -27.31 1.93 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 -167.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -138.78 -55.83 0.61 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.183 0.901 . . . . 0.0 112.118 -168.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -98.36 174.69 6.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.774 1.23 . . . . 0.0 111.231 168.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.23 140.66 51.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.338 1.055 . . . . 0.0 112.737 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -85.12 -12.97 51.68 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -171.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.64 -164.5 19.4 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.086 0.851 . . . . 0.0 112.716 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.56 -6.73 54.69 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.5 m -138.67 150.07 64.6 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 125.883 1.673 . . . . 0.0 111.514 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -70.0 158.47 56.53 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.728 2.952 . . . . 0.0 110.741 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.38 37.32 0.02 OUTLIER Glycine 0 N--CA 1.475 1.277 0 N-CA-C 118.502 2.161 . . . . 0.0 118.502 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -127.92 -165.53 1.5 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.824 1.312 . . . . 0.0 111.888 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.4 -21.92 52.21 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -169.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 62.1 m -109.54 3.85 21.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.599 1.16 . . . . 0.0 114.117 176.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.9 m120 58.15 44.93 18.31 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.646 1.578 . . . . 0.0 112.934 169.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.5 p -148.87 153.53 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.365 1.466 . . . . 0.0 110.656 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -103.96 136.05 44.32 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.915 1.686 . . . . 0.0 111.267 -174.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.6 m -51.66 -37.01 48.62 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.254 1.422 . . . . 0.0 113.771 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -74.02 -28.42 61.43 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -18.65 63.76 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.863 -1.148 . . . . 0.0 112.662 174.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.1 -13.45 59.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.033 0.933 . . . . 0.0 112.308 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.2 mt -94.21 8.5 41.5 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.688 1.595 . . . . 0.0 112.995 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.6 p -89.37 -169.82 2.63 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.176 1.39 . . . . 0.0 112.505 -172.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -92.36 2.24 56.76 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.574 1.949 . . . . 0.0 115.101 -171.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -130.42 123.83 30.72 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.317 1.447 . . . . 0.0 109.396 169.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.4 pt -68.32 -13.74 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.493 1.117 . . . . 0.0 113.097 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.9 t -55.21 -30.99 61.07 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.948 1.299 . . . . 0.0 113.89 -171.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -63.73 -34.05 77.02 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.151 0.887 . . . . 0.0 111.309 176.422 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.06 -38.76 14.14 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.998 1.319 . . . . 0.0 111.762 176.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.0 -40.95 74.96 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.67 0.788 . . . . 0.0 113.085 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -71.1 -30.42 66.51 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.798 -1.188 . . . . 0.0 111.759 175.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.411 ' SG ' HD13 ' A' ' 56' ' ' ILE . 41.3 t -67.77 -37.56 82.26 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.323 1.049 . . . . 0.0 111.264 169.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.7 89.15 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.252 1.021 . . . . 0.0 112.6 171.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.47 -40.82 97.87 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.108 1.322 . . . . 0.0 112.266 170.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -67.98 -24.38 65.13 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.244 1.018 . . . . 0.0 113.249 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.3 mt -75.2 -45.45 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.847 0.859 . . . . 0.0 109.987 168.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -24.7 57.71 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.492 1.517 . . . . 0.0 113.87 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -56.03 -28.83 59.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.476 1.51 . . . . 0.0 114.331 169.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -115.21 -32.38 5.69 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.469 1.508 . . . . 0.0 112.886 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -143.57 83.66 1.77 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.111 1.765 . . . . 0.0 110.551 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -51.67 -40.25 59.69 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -170.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -141.93 -3.54 1.1 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.512 1.525 . . . . 0.0 113.037 169.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.77 -16.93 61.15 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.303 1.841 . . . . 0.0 114.431 -167.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.22 -4.91 55.05 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.819 1.248 . . . . 0.0 113.703 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 -124.66 139.84 53.49 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.036 1.334 . . . . 0.0 113.002 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -87.43 -32.69 19.38 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.471 1.108 . . . . 0.0 112.522 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.29 -20.59 63.28 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.841 1.21 . . . . 0.0 113.111 175.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -80.33 -66.57 0.86 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 117.85 0.825 . . . . 0.0 111.122 168.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -62.87 -25.95 68.54 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -170.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -81.46 -9.91 59.61 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -137.21 -45.96 0.56 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -174.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.0 m -68.69 -19.76 64.39 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.14 1.376 . . . . 0.0 114.355 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -80.99 -13.97 58.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.065 0.946 . . . . 0.0 112.336 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.47 -47.55 1.97 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 125.457 1.504 . . . . 0.0 112.781 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.4 m -165.37 151.4 9.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.533 1.533 . . . . 0.0 112.1 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 81.2 mt -120.64 153.06 56.47 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 125.343 1.457 . . . . 0.0 112.186 174.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.42 155.11 60.44 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.925 3.083 . . . . 0.0 110.769 172.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -83.08 149.13 27.1 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 122.228 1.013 . . . . 0.0 111.784 171.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.92 0.29 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 127.082 2.153 . . . . 0.0 112.7 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.0 m -64.34 -12.68 44.68 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -171.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.4 p -89.56 -8.97 51.54 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.036 1.734 . . . . 0.0 114.117 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.0 m . . . . . 0 C--O 1.252 1.19 0 C-N-CA 126.181 1.792 . . . . 0.0 112.523 -173.847 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 N-CA-C 111.914 -0.475 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -156.76 163.77 38.87 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.801 1.64 . . . . 0.0 112.513 -172.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 m -108.35 131.77 54.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.672 1.189 . . . . 0.0 110.659 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -96.35 155.56 16.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.228 1.811 . . . . 0.0 110.578 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -94.92 159.71 14.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.035 1.334 . . . . 0.0 108.722 168.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.31 -48.72 76.11 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.41 1.005 . . . . 0.0 112.292 -172.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.3 p -64.08 -30.58 71.64 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.15 -45.72 54.53 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.272 0.939 . . . . 0.0 111.391 173.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.1 -49.61 75.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.249 1.419 . . . . 0.0 111.813 174.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.7 t -49.08 -46.32 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.004 0.921 . . . . 0.0 110.52 173.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -69.09 -42.79 75.69 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.84 0.856 . . . . 0.0 113.24 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.19 -40.14 96.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.283 1.033 . . . . 0.0 111.322 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -73.24 -38.31 66.07 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 121.259 -0.901 . . . . 0.0 112.116 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -57.97 -40.03 79.62 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.839 -0.538 . . . . 0.0 111.856 171.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -66.96 -37.25 83.93 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.999 0.92 . . . . 0.0 112.38 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -87.5 4.58 42.89 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -174.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.25 35.94 6.46 Favored Glycine 0 N--CA 1.472 1.058 0 C-N-CA 124.471 1.034 . . . . 0.0 114.589 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -98.65 138.66 35.51 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.819 1.248 . . . . 0.0 109.74 174.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -72.68 134.76 45.22 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.62 0.768 . . . . 0.0 111.8 -174.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.33 -28.86 68.48 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -77.81 -17.52 57.36 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.1 mt -101.4 -11.64 19.22 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.229 1.412 . . . . 0.0 112.669 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.4 tpp -53.53 -42.59 67.6 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.082 1.353 . . . . 0.0 112.692 -173.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -55.4 -49.76 71.51 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.178 0.991 . . . . 0.0 112.04 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.03 -43.79 98.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.954 1.301 . . . . 0.0 110.795 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -66.96 -50.24 62.95 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.19 0.996 . . . . 0.0 112.909 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -65.76 -33.96 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.57 1.077 . . . . 0.0 111.699 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -69.77 -43.77 71.51 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.482 0.583 . . . . 0.0 111.503 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.3 -52.37 63.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.522 1.129 . . . . 0.0 110.616 170.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.21 -40.88 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.661 0.784 . . . . 0.0 111.958 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -63.35 -39.32 94.2 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -83.29 -16.67 45.36 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -90.89 -56.84 3.03 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.465 1.106 . . . . 0.0 112.003 174.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 m -126.67 3.93 6.76 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m 60.09 25.36 14.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.571 1.548 . . . . 0.0 113.688 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 mtm-85 68.82 24.84 6.41 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.109 1.764 . . . . 0.0 113.266 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -116.95 120.19 37.65 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.124 1.77 . . . . 0.0 110.83 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.0 p -69.37 -26.41 64.65 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 119.09 -0.481 . . . . 0.0 112.224 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -76.12 -3.83 38.23 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -74.84 140.56 44.0 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.956 -1.09 . . . . 0.0 113.317 -172.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.4 p -143.2 155.83 44.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.273 1.829 . . . . 0.0 111.881 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -150.53 130.49 13.39 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.19 1.396 . . . . 0.0 111.305 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.6 m -86.16 142.86 28.33 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.444 1.098 . . . . 0.0 109.918 176.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -102.11 157.01 17.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.306 1.443 . . . . 0.0 111.717 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -63.21 -22.6 66.97 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.179 0.991 . . . . 0.0 113.095 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -84.93 2.8 41.18 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.785 1.634 . . . . 0.0 113.689 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.25 -2.87 85.47 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.602 1.572 . . . . 0.0 115.781 172.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.3 p -86.35 163.83 17.43 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.834 1.254 . . . . 0.0 111.65 171.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -125.03 151.12 46.02 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.423 1.089 . . . . 0.0 111.288 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -101.91 145.62 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.525 1.93 . . . . 0.0 110.041 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -143.91 148.11 34.95 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.194 1.398 . . . . 0.0 113.137 -171.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.9 -177.96 49.3 Favored Glycine 0 N--CA 1.468 0.772 0 O-C-N 121.596 -0.69 . . . . 0.0 113.794 172.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -14.21 61.21 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 -168.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.77 15.23 17.52 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.845 1.258 . . . . 0.0 111.458 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 45.2 57.62 4.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.1 1.76 . . . . 0.0 111.745 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.4 mt -82.77 133.62 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.83 1.252 . . . . 0.0 109.917 -172.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -95.72 137.6 34.57 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -169.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -65.18 -13.41 58.14 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -175.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -89.01 -13.36 38.98 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.007 0.923 . . . . 0.0 112.926 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -130.65 -61.85 0.94 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -168.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -101.73 -51.97 3.31 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.685 0.794 . . . . 0.0 112.698 -167.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.4 p -101.35 169.08 9.12 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.329 1.452 . . . . 0.0 112.754 172.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.3 t -117.19 132.35 56.66 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.043 1.737 . . . . 0.0 112.108 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -83.95 -10.92 57.57 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 177.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.13 -159.98 17.13 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.29 0.948 . . . . 0.0 113.281 -169.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.55 -8.02 55.67 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -150.91 151.24 29.57 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 125.444 1.497 . . . . 0.0 111.576 -171.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -67.59 147.15 75.87 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.209 2.606 . . . . 0.0 109.755 169.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.95 29.23 0.02 OUTLIER Glycine 0 N--CA 1.475 1.292 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 -171.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -119.01 -168.87 1.63 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.264 1.425 . . . . 0.0 110.723 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.54 -29.24 66.18 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -168.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.6 m -104.52 7.69 35.33 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.1 t30 54.24 49.67 18.1 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.903 1.681 . . . . 0.0 112.749 171.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.3 p -149.77 143.99 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.331 1.452 . . . . 0.0 110.248 -171.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -94.41 134.47 36.89 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.079 1.352 . . . . 0.0 110.913 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.6 m -48.03 -36.6 13.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.068 1.747 . . . . 0.0 113.886 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -69.81 -31.61 69.6 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -73.01 -10.46 59.83 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 120.549 -1.345 . . . . 0.0 112.272 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 mt -81.21 -14.73 57.22 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.465 -0.772 . . . . 0.0 112.283 170.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.7 mt -95.05 7.85 44.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.498 1.519 . . . . 0.0 112.932 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.7 t -80.47 -178.28 6.61 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.528 1.531 . . . . 0.0 111.95 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -92.35 10.87 28.01 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.42 1.488 . . . . 0.0 113.88 -170.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -135.27 127.12 29.38 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.102 1.761 . . . . 0.0 108.179 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.3 pt -68.77 -13.95 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 124.807 1.243 . . . . 0.0 113.048 -174.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t -52.21 -37.34 54.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.302 1.841 . . . . 0.0 114.462 -170.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -63.65 -32.03 73.38 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.279 0.632 . . . . 0.0 112.369 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -41.35 13.89 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.898 1.279 . . . . 0.0 111.298 174.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.66 97.09 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.584 1.154 . . . . 0.0 113.117 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.62 -33.27 72.42 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.12 -0.987 . . . . 0.0 112.714 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 25.4 t -67.36 -38.49 84.87 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.954 0.902 . . . . 0.0 111.222 171.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.89 -35.22 77.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.447 1.099 . . . . 0.0 113.078 173.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.64 -40.5 95.12 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.359 1.436 . . . . 0.0 112.636 171.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -69.52 -20.9 63.69 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.529 -0.732 . . . . 0.0 112.925 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 92.3 mt -77.88 -48.65 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.281 -0.887 . . . . 0.0 109.719 168.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -28.67 62.66 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.928 1.291 . . . . 0.0 114.027 178.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -58.62 -23.75 59.6 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.971 2.108 . . . . 0.0 114.193 172.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -115.81 -34.18 4.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.874 1.67 . . . . 0.0 112.567 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -144.68 82.92 1.69 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.888 2.075 . . . . 0.0 110.176 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.586 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -41.61 -43.89 2.9 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.213 1.805 . . . . 0.0 114.31 -171.71 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -144.46 -4.42 0.78 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.307 1.843 . . . . 0.0 112.767 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -12.84 60.03 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.627 1.971 . . . . 0.0 113.944 -167.223 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.42 -5.86 55.6 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.961 1.304 . . . . 0.0 113.602 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -121.62 137.27 54.81 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.45 1.5 . . . . 0.0 112.276 -174.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -83.95 -37.09 22.73 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -170.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -65.18 -28.91 74.11 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 123.781 0.705 . . . . 0.0 112.398 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -66.18 -45.36 81.14 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -81.49 -15.92 53.5 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -95.28 -29.09 14.67 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.471 1.108 . . . . 0.0 113.844 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -126.94 -46.07 1.56 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 55.3 m -69.92 -7.19 38.37 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -172.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -74.04 -23.28 59.37 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.132 0.973 . . . . 0.0 112.682 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.83 -39.75 7.43 Favored Glycine 0 N--CA 1.471 1.0 0 C-N-CA 123.959 0.79 . . . . 0.0 113.588 -176.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.9 t -169.87 152.43 4.46 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.478 1.511 . . . . 0.0 111.414 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.4 mt -120.93 149.34 50.72 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.991 1.716 . . . . 0.0 111.417 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -73.58 166.31 30.13 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 124.001 3.134 . . . . 0.0 112.198 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.13 144.68 38.27 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.145 0.978 . . . . 0.0 112.552 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.1 pt -128.07 -4.91 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.867 1.667 . . . . 0.0 113.401 171.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 96.0 p -69.13 -16.12 63.58 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.802 -1.186 . . . . 0.0 113.245 -178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.9 m -84.65 -3.44 58.51 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.128 1.371 . . . . 0.0 113.67 170.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.642 1.577 . . . . 0.0 112.419 -173.474 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.304 0 N-CA-C 112.244 -0.342 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -157.72 163.5 38.08 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.189 1.796 . . . . 0.0 112.494 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -106.3 134.11 49.96 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.827 1.251 . . . . 0.0 110.427 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -99.07 156.44 16.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.225 1.81 . . . . 0.0 110.628 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.7 t -95.63 159.63 14.9 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.863 1.265 . . . . 0.0 108.571 168.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.13 -45.64 79.5 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.285 0.948 . . . . 0.0 111.959 -175.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.5 m -61.33 -35.83 78.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.5 -44.25 51.04 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 124.188 0.899 . . . . 0.0 111.527 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.74 -48.8 77.63 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.043 1.337 . . . . 0.0 111.875 176.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.2 t -49.94 -45.98 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 119.082 0.856 . . . . 0.0 110.553 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -69.18 -44.22 72.65 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.998 0.919 . . . . 0.0 113.23 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.2 -42.39 98.5 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.357 1.063 . . . . 0.0 110.993 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.51 -40.23 70.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.887 0.875 . . . . 0.0 112.219 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -56.36 -40.95 75.35 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 118.272 0.487 . . . . 0.0 111.845 172.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -72.33 -26.37 61.91 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.944 0.898 . . . . 0.0 113.253 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -92.34 6.14 47.98 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.192 1.397 . . . . 0.0 114.187 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.96 23.03 21.59 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.741 1.162 . . . . 0.0 115.321 169.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -89.15 137.6 32.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.431 1.116 . . . . 0.0 109.923 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -74.6 136.52 42.03 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.683 0.793 . . . . 0.0 111.974 -174.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.36 -27.85 67.72 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -79.25 -19.11 51.44 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.0 mt -97.49 -17.2 19.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.006 1.322 . . . . 0.0 112.391 175.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.1 tpp -49.25 -44.44 43.71 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.164 1.786 . . . . 0.0 113.536 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -56.95 -46.57 82.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.173 0.989 . . . . 0.0 112.912 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -63.88 -44.52 92.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.193 0.597 . . . . 0.0 111.225 173.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -64.55 -49.13 72.42 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.696 -0.669 . . . . 0.0 112.697 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 m -65.95 -35.27 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.465 1.029 . . . . 0.0 111.786 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -71.49 -41.25 69.54 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.669 0.668 . . . . 0.0 111.735 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 tt -56.38 -52.95 62.72 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.967 1.307 . . . . 0.0 110.269 169.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.96 -39.99 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.662 0.785 . . . . 0.0 112.019 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -63.19 -40.71 98.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -81.39 -18.76 44.37 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -90.0 -57.25 2.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.261 1.024 . . . . 0.0 111.938 175.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 m -125.65 5.35 7.49 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -170.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m 60.4 22.35 11.93 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.311 1.445 . . . . 0.0 113.841 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 68.41 26.46 6.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.738 1.615 . . . . 0.0 112.903 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -117.67 118.47 32.19 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.838 1.655 . . . . 0.0 111.172 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.8 p -68.89 -26.24 65.01 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -74.96 -5.48 44.12 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -70.76 136.83 49.14 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.801 -1.187 . . . . 0.0 112.645 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -143.01 148.98 37.67 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.896 2.079 . . . . 0.0 111.472 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -149.54 128.76 12.83 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.86 1.264 . . . . 0.0 111.691 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -87.96 141.26 28.72 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.762 1.225 . . . . 0.0 110.252 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -102.38 157.81 16.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.479 1.512 . . . . 0.0 112.085 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -57.1 -30.57 64.48 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.641 1.176 . . . . 0.0 113.904 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -74.7 -4.4 37.18 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 126.493 1.917 . . . . 0.0 114.066 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.25 81.99 Favored Glycine 0 N--CA 1.475 1.299 0 C-N-CA 125.531 1.539 . . . . 0.0 115.217 173.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 p -89.59 163.1 15.32 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.548 1.539 . . . . 0.0 111.656 172.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -122.59 149.91 43.33 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.566 1.146 . . . . 0.0 111.158 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -100.12 144.4 29.2 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.756 2.022 . . . . 0.0 110.147 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.45 148.31 37.53 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.332 1.453 . . . . 0.0 112.726 -171.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.07 -177.34 48.4 Favored Glycine 0 N--CA 1.469 0.863 0 O-C-N 121.536 -0.727 . . . . 0.0 114.081 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -13.2 60.15 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 -168.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -115.54 15.55 16.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.864 1.266 . . . . 0.0 111.44 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 44.23 58.49 3.71 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.233 1.813 . . . . 0.0 111.794 -176.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.2 mt -83.92 132.81 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.555 1.142 . . . . 0.0 110.27 -171.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -94.15 138.88 31.69 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -169.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.14 -12.15 53.89 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -175.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -94.94 -15.38 23.64 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.327 1.051 . . . . 0.0 113.175 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -128.67 -27.5 2.58 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 116.797 2.147 . . . . 0.0 116.797 -167.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -138.47 -56.89 0.64 Allowed 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.312 0.96 . . . . 0.0 112.693 -168.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 p -97.5 168.62 10.26 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.033 1.333 . . . . 0.0 111.85 169.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 t -117.88 133.83 55.54 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.385 1.474 . . . . 0.0 112.136 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -83.01 -12.62 57.09 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.75 -170.73 29.53 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.177 0.894 . . . . 0.0 112.416 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.64 -4.5 19.66 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -173.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.3 p -156.33 155.3 28.74 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 127.003 2.121 . . . . 0.0 110.289 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.62 151.28 69.84 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.877 2.385 . . . . 0.0 110.351 175.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.72 32.73 0.02 OUTLIER Glycine 0 N--CA 1.477 1.389 0 N-CA-C 117.697 1.839 . . . . 0.0 117.697 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -121.9 -168.86 1.78 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.191 1.396 . . . . 0.0 110.622 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.62 -23.96 63.43 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -169.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.8 m -105.95 4.04 29.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.668 1.187 . . . . 0.0 113.871 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.3 t30 54.1 50.61 16.21 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.107 1.763 . . . . 0.0 112.675 173.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.2 p -150.43 148.8 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.61 1.564 . . . . 0.0 109.863 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.2 tttt -99.92 135.55 41.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.375 1.47 . . . . 0.0 110.8 -175.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.9 m -49.98 -37.16 31.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.804 1.642 . . . . 0.0 114.05 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -73.64 -29.18 62.19 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.697 -0.627 . . . . 0.0 112.571 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -13.02 62.0 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.96 -1.088 . . . . 0.0 113.001 173.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.6 mt -81.89 -11.47 58.9 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.907 0.883 . . . . 0.0 112.358 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.4 mt -97.48 7.37 46.63 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.461 1.505 . . . . 0.0 113.096 -174.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.4 p -80.85 -177.12 6.22 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.051 1.34 . . . . 0.0 112.63 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.52 -8.22 59.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.545 1.538 . . . . 0.0 114.892 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -114.94 125.98 54.25 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.126 1.371 . . . . 0.0 109.61 169.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.9 pt -69.49 -14.08 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.437 1.495 . . . . 0.0 113.336 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.8 t -53.45 -33.46 54.19 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.156 1.382 . . . . 0.0 114.702 -168.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -31.89 72.94 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.166 0.893 . . . . 0.0 111.872 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.24 -40.33 16.75 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.464 1.105 . . . . 0.0 110.74 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.35 79.31 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.076 0.951 . . . . 0.0 113.414 -177.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -67.62 -36.34 80.62 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.844 -1.16 . . . . 0.0 112.878 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.4 t -74.01 -31.87 63.12 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.772 1.629 . . . . 0.0 111.054 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.92 93.87 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.53 1.132 . . . . 0.0 111.745 168.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -42.01 95.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.874 1.216 . . . . 0.0 112.812 172.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -66.6 -24.06 66.27 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.137 0.975 . . . . 0.0 112.901 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 80.2 mt -78.66 -47.1 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.831 0.852 . . . . 0.0 110.248 168.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -27.01 53.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.363 1.465 . . . . 0.0 113.653 176.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.29 -17.66 5.01 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.853 2.061 . . . . 0.0 115.149 169.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -130.47 -29.67 1.96 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.699 1.599 . . . . 0.0 113.216 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -140.69 82.49 1.85 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.168 1.787 . . . . 0.0 110.409 -175.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -51.05 -40.38 58.17 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -169.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -140.7 -4.83 1.21 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.542 1.537 . . . . 0.0 112.885 170.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.28 -17.49 60.85 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.456 1.902 . . . . 0.0 114.457 -167.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.78 -5.61 53.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.589 1.156 . . . . 0.0 113.718 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.7 m-90 -124.84 122.55 37.72 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.932 1.293 . . . . 0.0 111.985 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -70.8 -32.78 69.97 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -171.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.47 -30.72 78.43 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 123.83 0.729 . . . . 0.0 112.673 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -70.25 -46.33 64.64 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.029 0.915 . . . . 0.0 112.579 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -77.87 -12.36 59.97 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -98.32 -29.92 12.89 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.466 1.106 . . . . 0.0 113.897 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -124.4 -43.47 2.05 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 69.3 m -69.14 -9.09 51.1 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -75.28 -21.68 58.33 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.156 0.982 . . . . 0.0 112.651 175.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.16 -44.56 5.61 Favored Glycine 0 C--N 1.344 0.974 0 C-N-CA 124.08 0.848 . . . . 0.0 112.999 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.5 t -169.75 157.2 6.79 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.711 1.605 . . . . 0.0 111.195 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.73 150.72 53.22 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.695 1.598 . . . . 0.0 111.839 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -69.94 145.86 57.37 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.767 2.978 . . . . 0.0 110.39 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -80.78 152.22 28.4 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 122.444 1.116 . . . . 0.0 111.248 172.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.2 pt -135.85 1.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 127.317 2.247 . . . . 0.0 112.547 -172.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 99.7 p -58.2 -19.98 37.74 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.9 m -80.75 -8.67 59.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.124 1.37 . . . . 0.0 114.054 173.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.25 1.097 0 C-N-CA 125.803 1.641 . . . . 0.0 112.157 -175.108 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.313 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -158.38 166.07 33.16 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.139 1.776 . . . . 0.0 112.503 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 m -108.03 130.4 55.08 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.849 1.26 . . . . 0.0 110.016 175.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -94.42 158.82 15.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.955 1.702 . . . . 0.0 110.907 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -99.15 158.88 15.37 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.152 1.381 . . . . 0.0 108.597 168.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -56.07 -45.74 79.23 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.32 0.964 . . . . 0.0 111.984 -175.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.6 m -61.89 -33.46 74.26 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.13 -45.5 31.39 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 124.216 0.912 . . . . 0.0 111.421 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.23 -48.82 78.29 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.153 1.381 . . . . 0.0 111.971 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.9 t -50.42 -45.56 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.07 0.85 . . . . 0.0 110.585 174.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -69.52 -43.38 73.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.033 0.933 . . . . 0.0 113.268 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.47 -38.79 91.2 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.762 1.225 . . . . 0.0 111.248 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.77 -40.5 55.19 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.814 0.846 . . . . 0.0 112.268 176.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -55.84 -41.29 74.06 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.366 0.53 . . . . 0.0 111.609 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -66.41 -39.26 88.88 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.412 1.885 . . . . 0.0 112.423 173.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -85.03 -1.32 56.69 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -176.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.03 39.94 3.67 Favored Glycine 0 N--CA 1.472 1.092 0 C-N-CA 124.74 1.162 . . . . 0.0 114.509 172.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -104.2 139.22 39.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.2 1.4 . . . . 0.0 109.518 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -76.87 137.9 39.44 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.398 0.679 . . . . 0.0 111.898 -172.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.25 -26.85 68.04 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -82.31 -15.43 52.94 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.9 mt -100.31 -13.99 18.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.877 1.271 . . . . 0.0 112.344 173.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.2 tpp -51.47 -44.35 62.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.383 1.473 . . . . 0.0 112.961 -174.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -55.76 -48.03 75.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.123 0.969 . . . . 0.0 112.558 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -61.31 -46.44 90.27 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.703 0.801 . . . . 0.0 110.576 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -65.41 -49.4 69.38 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.948 0.899 . . . . 0.0 112.715 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.2 m -65.91 -34.11 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 119.319 0.963 . . . . 0.0 111.761 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -72.17 -42.12 66.26 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.637 0.653 . . . . 0.0 111.942 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.63 -53.07 59.62 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.507 1.523 . . . . 0.0 110.347 169.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 t -60.82 -42.05 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.784 0.834 . . . . 0.0 111.584 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -64.12 -30.42 71.48 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -85.28 -22.23 28.67 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -91.55 -55.46 3.49 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.092 0.957 . . . . 0.0 112.337 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.8 p -111.43 -16.32 13.36 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.3 m 66.99 28.49 8.46 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.721 1.208 . . . . 0.0 111.588 -166.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 74.5 29.76 1.15 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.372 1.869 . . . . 0.0 112.347 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -117.65 115.36 24.92 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.05 1.34 . . . . 0.0 111.964 -173.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.9 p -69.44 -26.46 64.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 122.096 -0.378 . . . . 0.0 111.591 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.2 m -74.94 -2.36 26.68 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -71.85 142.93 49.58 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 121.064 -1.022 . . . . 0.0 113.315 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.3 p -153.15 150.74 29.39 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 127.984 2.513 . . . . 0.0 111.197 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -157.32 123.01 4.67 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.138 1.775 . . . . 0.0 110.292 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 m -89.92 137.51 32.27 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.712 1.205 . . . . 0.0 110.267 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -106.01 162.67 13.4 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.212 1.405 . . . . 0.0 112.595 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -64.07 -24.17 67.6 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.538 1.135 . . . . 0.0 113.304 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.86 -14.98 61.61 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.59 1.556 . . . . 0.0 113.783 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.8 -1.37 74.79 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.451 1.5 . . . . 0.0 114.127 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.4 p -81.25 173.73 12.21 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.873 1.269 . . . . 0.0 111.728 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -143.9 153.39 42.26 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.87 1.268 . . . . 0.0 111.184 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.79 148.81 26.13 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.701 0.8 . . . . 0.0 110.924 169.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -143.0 139.11 30.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.105 1.362 . . . . 0.0 112.17 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.85 -172.45 53.11 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 115.872 1.109 . . . . 0.0 115.872 168.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.77 -19.19 62.73 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -169.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.05 14.55 17.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.009 1.724 . . . . 0.0 111.542 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 56.04 49.06 16.43 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.521 1.929 . . . . 0.0 111.447 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.421 HD13 ' SG ' ' A' ' 90' ' ' CYS . 7.2 mt -80.0 134.43 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 124.389 1.076 . . . . 0.0 110.136 -169.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -101.08 136.27 41.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.558 0.694 . . . . 0.0 112.524 -171.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -64.79 -12.23 45.43 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.086 1.884 . . . . 0.0 116.086 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -81.94 -18.52 43.27 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.517 1.127 . . . . 0.0 112.804 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -131.0 -59.41 0.99 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -167.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -102.55 -51.8 3.24 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.785 0.834 . . . . 0.0 113.158 -166.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.0 p -100.8 167.71 10.12 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.215 1.406 . . . . 0.0 112.911 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -114.83 131.21 56.9 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.765 1.626 . . . . 0.0 112.121 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -84.85 -10.35 57.24 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.11 -159.78 19.96 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.413 1.006 . . . . 0.0 113.369 -170.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.88 -2.28 32.68 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.2 p -158.19 153.69 22.42 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.229 1.411 . . . . 0.0 112.105 -172.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -69.94 146.89 60.42 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.447 2.765 . . . . 0.0 110.233 171.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.2 29.98 0.02 OUTLIER Glycine 0 N--CA 1.475 1.299 0 N-CA-C 117.321 1.688 . . . . 0.0 117.321 -171.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -119.34 -168.91 1.66 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.383 1.473 . . . . 0.0 110.773 175.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.75 -26.06 63.62 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -168.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 65.6 m -107.19 5.9 28.18 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.66 1.184 . . . . 0.0 113.944 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 54.16 50.18 17.08 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.941 1.696 . . . . 0.0 112.753 172.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.2 p -150.25 143.49 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.25 1.42 . . . . 0.0 110.397 -172.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -92.26 134.6 34.74 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.946 1.298 . . . . 0.0 111.182 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 72.5 m -48.63 -36.19 15.31 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.232 1.813 . . . . 0.0 114.142 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -68.99 -33.3 73.46 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.8 -9.73 58.99 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.758 -1.214 . . . . 0.0 112.478 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -81.41 -14.74 56.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.905 0.775 . . . . 0.0 112.439 171.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 mt -96.02 10.94 35.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.258 1.423 . . . . 0.0 113.095 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -85.58 -178.33 6.64 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.715 1.606 . . . . 0.0 112.204 -176.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -86.75 -6.57 58.79 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -171.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -117.68 126.46 52.53 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.154 1.382 . . . . 0.0 109.252 168.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.2 pt -68.29 -14.01 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.69 1.196 . . . . 0.0 113.336 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.7 t -51.95 -37.51 53.13 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.984 1.714 . . . . 0.0 114.489 -169.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.59 -32.62 74.14 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.27 0.628 . . . . 0.0 112.114 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.74 -38.94 16.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.997 1.319 . . . . 0.0 111.539 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.12 86.01 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.375 1.07 . . . . 0.0 113.244 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.45 -32.26 71.09 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.784 -1.198 . . . . 0.0 112.489 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.421 ' SG ' HD13 ' A' ' 56' ' ' ILE . 38.2 t -67.87 -36.99 81.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.068 0.947 . . . . 0.0 111.264 170.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.37 85.56 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.147 0.979 . . . . 0.0 112.7 171.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -63.78 -41.76 97.89 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.529 1.513 . . . . 0.0 112.331 170.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -63.67 -26.83 68.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.861 0.864 . . . . 0.0 112.761 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 86.8 mt -75.98 -49.22 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.731 0.812 . . . . 0.0 111.013 168.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -27.75 62.59 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.881 1.272 . . . . 0.0 113.504 -178.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -57.67 -22.18 44.4 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.985 1.714 . . . . 0.0 114.949 169.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -115.66 -36.27 4.28 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.545 1.538 . . . . 0.0 112.267 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -141.13 81.15 1.77 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.093 1.757 . . . . 0.0 110.661 -173.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -42.24 33.47 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -169.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -139.61 -7.74 1.28 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.113 1.365 . . . . 0.0 113.052 169.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.04 -13.92 61.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.68 1.192 . . . . 0.0 113.978 -172.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.01 -7.84 53.92 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 172.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -126.84 107.9 10.53 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.893 1.277 . . . . 0.0 112.58 -174.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -52.19 -35.26 48.64 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.928 1.691 . . . . 0.0 113.024 169.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.01 -13.76 49.81 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 125.215 1.388 . . . . 0.0 114.102 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -96.84 -56.9 2.42 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.839 1.32 . . . . 0.0 112.401 168.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -70.31 -16.47 63.01 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -172.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -113.14 -9.07 13.54 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -139.64 -8.28 1.26 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 -170.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 96.5 m -103.44 1.71 32.85 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.637 1.108 . . . . 0.0 113.921 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -86.15 -21.38 27.59 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -170.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.08 -36.43 11.13 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.787 0.708 . . . . 0.0 113.441 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.2 t -171.98 154.16 3.41 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.31 1.844 . . . . 0.0 110.802 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 87.9 mt -117.87 151.28 48.57 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.647 1.579 . . . . 0.0 111.603 175.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -70.2 151.37 66.54 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.742 2.961 . . . . 0.0 110.714 174.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -79.11 148.9 32.22 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 122.236 1.017 . . . . 0.0 111.822 171.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.3 pt -129.1 -0.24 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.999 2.12 . . . . 0.0 112.735 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.4 m -63.58 -17.65 63.07 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -174.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.5 m -83.98 -6.93 59.51 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.153 1.381 . . . . 0.0 113.836 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--O 1.254 1.312 0 C-N-CA 125.673 1.589 . . . . 0.0 112.164 -174.711 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.332 0 N-CA-C 112.174 -0.37 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -160.09 168.65 25.05 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.657 1.983 . . . . 0.0 112.607 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 m -115.73 132.79 56.53 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.771 1.229 . . . . 0.0 110.51 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.37 162.28 13.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.489 1.516 . . . . 0.0 111.688 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.3 t -104.47 160.51 14.86 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.593 1.557 . . . . 0.0 107.99 166.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -57.39 -44.12 84.22 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.364 0.984 . . . . 0.0 111.997 -174.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m -63.41 -25.44 68.28 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 176.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.77 -48.34 6.69 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.459 1.028 . . . . 0.0 111.201 171.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.14 -46.26 88.04 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.402 1.081 . . . . 0.0 112.436 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.09 -45.0 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 119.378 0.99 . . . . 0.0 110.514 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -70.39 -42.33 71.85 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.21 1.004 . . . . 0.0 113.057 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.07 -42.14 98.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.498 1.119 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -73.66 -39.47 64.44 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.914 0.886 . . . . 0.0 112.137 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -56.19 -41.43 75.55 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.983 0.513 . . . . 0.0 111.738 172.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -69.84 -31.83 69.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.857 1.263 . . . . 0.0 112.662 174.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -87.96 -0.53 57.13 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.941 1.459 . . . . 0.0 114.941 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.77 35.53 5.84 Favored Glycine 0 N--CA 1.472 1.044 0 C-N-CA 124.501 1.048 . . . . 0.0 114.272 172.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -91.31 149.06 21.91 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.109 0.955 . . . . 0.0 111.316 173.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -72.0 122.35 20.71 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.846 1.658 . . . . 0.0 110.316 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.18 -27.65 69.11 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -175.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -81.2 -14.44 57.54 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 mt -103.6 -5.5 22.6 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.617 1.167 . . . . 0.0 113.179 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.3 tpp -52.05 -44.01 64.05 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.598 1.159 . . . . 0.0 112.541 -174.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -54.83 -48.62 72.6 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.634 1.174 . . . . 0.0 112.332 173.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -61.42 -46.53 89.75 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.077 1.351 . . . . 0.0 110.698 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -65.62 -50.0 66.63 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.65 1.18 . . . . 0.0 112.714 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.8 m -64.93 -34.98 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.021 0.828 . . . . 0.0 111.501 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -71.52 -41.97 68.55 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.769 0.713 . . . . 0.0 112.104 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.53 -53.8 49.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.793 1.237 . . . . 0.0 110.303 170.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.96 -40.75 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.448 0.699 . . . . 0.0 112.037 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.03 -22.37 66.98 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -101.62 -14.09 17.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -89.45 -55.84 3.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.273 1.029 . . . . 0.0 111.562 172.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.5 p -114.49 -15.79 12.0 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m 68.92 26.52 5.78 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.871 1.269 . . . . 0.0 111.345 -166.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 71.08 32.01 2.37 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.155 2.182 . . . . 0.0 113.006 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -113.53 115.13 27.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.776 1.231 . . . . 0.0 111.478 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.5 p -70.04 -25.58 63.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 119.261 -0.4 . . . . 0.0 111.908 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -78.3 -2.4 37.85 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -68.84 142.31 54.88 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.225 -0.922 . . . . 0.0 113.094 -172.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.6 p -153.42 145.2 23.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.505 2.322 . . . . 0.0 111.379 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -156.14 127.11 6.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.781 1.632 . . . . 0.0 110.542 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.6 m -81.66 137.18 35.47 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.3 1.04 . . . . 0.0 110.495 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -99.48 160.68 14.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.717 1.607 . . . . 0.0 112.217 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.42 -23.91 67.61 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.44 1.096 . . . . 0.0 113.363 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -80.11 -4.46 52.97 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.402 1.481 . . . . 0.0 114.135 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.56 -3.47 85.13 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.227 1.394 . . . . 0.0 114.369 -177.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 p -79.68 178.91 7.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.551 1.54 . . . . 0.0 111.791 169.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -142.21 160.86 39.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.958 1.303 . . . . 0.0 110.644 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.21 148.3 23.69 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.282 1.033 . . . . 0.0 110.691 169.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -142.63 133.82 26.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.256 1.422 . . . . 0.0 111.488 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.55 -173.14 51.12 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 116.016 1.166 . . . . 0.0 116.016 169.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.35 -19.91 63.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -168.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -115.28 17.17 16.71 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.083 1.753 . . . . 0.0 111.194 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 55.61 46.37 22.93 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.072 1.749 . . . . 0.0 111.589 171.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.0 mt -77.26 133.33 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.456 1.102 . . . . 0.0 109.627 -169.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -101.13 140.29 35.64 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.594 0.712 . . . . 0.0 112.643 -173.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.81 -9.03 25.01 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.173 1.389 . . . . 0.0 114.322 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -86.41 -18.34 32.01 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.335 1.454 . . . . 0.0 113.145 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -131.6 -35.17 1.31 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -167.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -139.67 -40.17 0.45 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -167.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.8 p -102.15 169.15 8.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.08 0.952 . . . . 0.0 113.565 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.4 t -113.71 129.44 56.57 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.634 1.574 . . . . 0.0 111.082 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -89.14 -9.53 50.64 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.94 -159.04 21.31 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.663 1.125 . . . . 0.0 112.958 -173.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.89 2.02 24.92 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 t -159.95 143.9 10.64 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.46 1.104 . . . . 0.0 111.903 -171.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.68 150.95 79.61 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.415 2.743 . . . . 0.0 111.102 172.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 161.63 93.03 0.09 OUTLIER Glycine 0 N--CA 1.468 0.828 0 O-C-N 122.085 -0.385 . . . . 0.0 112.897 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -167.26 -175.16 2.83 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 129.055 2.942 . . . . 0.0 109.502 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -56.24 -23.56 36.77 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.554 1.142 . . . . 0.0 114.035 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 64.3 m -109.9 -1.85 17.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.221 1.409 . . . . 0.0 114.626 176.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 49.98 54.98 10.13 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.873 1.669 . . . . 0.0 113.538 173.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.1 144.03 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.571 1.148 . . . . 0.0 111.334 -172.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -97.1 135.26 39.33 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.135 1.374 . . . . 0.0 110.965 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.2 m -47.99 -37.71 15.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.772 1.629 . . . . 0.0 114.178 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -69.17 -33.57 73.6 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.62 -11.2 60.73 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.787 -1.195 . . . . 0.0 112.667 174.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.7 mt -81.36 -14.66 56.99 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.509 -0.745 . . . . 0.0 112.643 173.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.4 mt -97.57 8.91 43.77 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.249 1.42 . . . . 0.0 113.395 -176.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -85.11 -177.57 6.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.862 1.665 . . . . 0.0 112.31 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -85.73 -6.5 59.11 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -172.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -116.37 124.75 50.85 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.305 1.442 . . . . 0.0 109.655 169.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.5 pt -68.54 -14.97 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.632 1.173 . . . . 0.0 113.443 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.1 t -53.91 -33.26 56.12 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -169.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.45 -33.41 75.87 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.391 0.541 . . . . 0.0 111.605 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.65 -38.8 17.98 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.937 1.295 . . . . 0.0 111.525 173.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.22 75.77 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.041 0.936 . . . . 0.0 113.423 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -71.59 -30.13 65.47 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.716 -1.24 . . . . 0.0 112.427 173.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.2 t -67.31 -37.82 83.96 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.309 0.644 . . . . 0.0 110.956 169.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.28 93.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.163 0.985 . . . . 0.0 112.684 172.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -61.33 -40.97 96.2 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.195 1.361 . . . . 0.0 112.188 170.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -67.95 -21.9 65.06 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.301 1.04 . . . . 0.0 113.371 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 90.7 mt -79.86 -44.64 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.186 0.994 . . . . 0.0 110.326 168.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -25.89 56.26 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.313 1.445 . . . . 0.0 113.851 177.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -55.7 -26.64 46.06 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.487 1.515 . . . . 0.0 114.355 169.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.3 mtt85 -114.04 -37.97 4.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.503 1.521 . . . . 0.0 112.642 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -143.66 94.42 2.6 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.605 1.562 . . . . 0.0 110.758 -176.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -54.47 -39.7 67.73 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -171.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -142.93 -16.48 0.69 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.068 1.347 . . . . 0.0 113.561 176.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.38 -11.29 60.21 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -171.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.81 -7.3 47.46 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.212 1.005 . . . . 0.0 113.603 171.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.3 m-90 -125.3 127.75 47.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.419 1.488 . . . . 0.0 111.85 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -78.44 -32.82 48.74 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -170.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.6 -29.2 74.52 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.216 0.912 . . . . 0.0 112.593 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -64.25 -55.9 18.34 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.037 0.919 . . . . 0.0 112.072 172.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -69.74 -19.17 63.54 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -93.75 -28.07 16.14 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -130.55 -14.57 3.66 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -174.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.9 m -114.1 1.6 14.66 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 -169.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -33.05 59.33 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -171.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.17 -24.98 8.58 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.48 1.038 . . . . 0.0 114.777 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -153.31 138.54 17.45 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.241 1.416 . . . . 0.0 111.374 -171.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.9 mt -127.11 152.62 76.1 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 125.595 1.558 . . . . 0.0 112.03 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.43 156.1 62.32 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 124.307 3.338 . . . . 0.0 112.106 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -77.77 142.89 38.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.091 0.956 . . . . 0.0 111.63 170.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.78 -0.82 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.678 1.991 . . . . 0.0 112.876 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.6 p -66.54 -13.51 61.07 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.2 m -82.18 -8.09 59.64 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.919 1.288 . . . . 0.0 113.837 170.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.672 1.589 . . . . 0.0 112.102 -176.28 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.084 0 N-CA-C 111.983 -0.447 . . . . 0.0 111.983 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -156.67 162.98 39.81 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.88 1.672 . . . . 0.0 112.573 -171.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 m -108.5 132.91 53.34 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.707 1.203 . . . . 0.0 110.614 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -98.83 155.66 17.26 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.935 1.694 . . . . 0.0 110.778 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.4 t -93.88 161.34 14.35 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.764 1.226 . . . . 0.0 108.544 168.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -56.62 -46.61 80.83 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.363 0.983 . . . . 0.0 111.866 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.3 m -60.29 -37.91 81.96 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.582 -0.699 . . . . 0.0 112.815 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.66 -45.6 65.51 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.168 0.89 . . . . 0.0 111.63 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.35 -49.33 75.98 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.074 1.349 . . . . 0.0 111.919 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.6 t -50.37 -45.63 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.757 0.823 . . . . 0.0 110.449 174.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -69.2 -41.44 77.11 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.28 -41.89 99.05 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.61 1.164 . . . . 0.0 111.007 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.3 mt -72.5 -38.54 68.09 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.147 0.979 . . . . 0.0 112.154 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -58.23 -39.94 80.42 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.925 -0.484 . . . . 0.0 112.006 172.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -68.69 -36.46 78.53 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.655 0.782 . . . . 0.0 112.43 172.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -84.66 -4.23 58.91 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -174.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.89 36.26 3.75 Favored Glycine 0 N--CA 1.474 1.179 0 C-N-CA 124.597 1.094 . . . . 0.0 114.681 170.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -102.29 138.09 39.68 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.24 1.416 . . . . 0.0 109.205 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -75.8 140.06 42.12 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.917 0.487 . . . . 0.0 111.895 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -63.23 -23.55 67.48 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -84.25 -17.15 40.68 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 mt -98.25 -13.93 20.55 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.43 1.092 . . . . 0.0 112.748 172.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.7 tpp -51.59 -44.0 62.65 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.432 1.493 . . . . 0.0 112.997 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -54.8 -50.12 69.32 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.127 0.971 . . . . 0.0 112.326 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.92 -43.34 99.05 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.643 1.177 . . . . 0.0 110.916 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -66.62 -51.08 60.31 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.139 0.976 . . . . 0.0 112.87 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -65.78 -33.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.452 1.024 . . . . 0.0 111.796 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 t -71.01 -42.4 69.62 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.54 0.609 . . . . 0.0 111.733 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tt -55.64 -52.66 63.05 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.465 1.106 . . . . 0.0 110.279 170.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -60.09 -42.16 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.823 0.849 . . . . 0.0 111.851 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.66 -39.54 94.23 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 176.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -82.92 -13.17 56.57 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -94.58 -60.26 1.75 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.529 1.131 . . . . 0.0 112.047 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -112.41 -9.51 13.83 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -172.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m 66.87 22.34 10.22 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.406 1.482 . . . . 0.0 113.056 -169.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 72.65 27.66 2.26 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.826 1.65 . . . . 0.0 112.205 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -119.1 118.63 31.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.131 1.373 . . . . 0.0 111.203 -176.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -68.63 -26.13 65.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 119.14 -0.457 . . . . 0.0 111.885 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -77.7 -5.68 51.35 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -71.7 143.77 49.55 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.994 -1.066 . . . . 0.0 112.431 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 74.5 p -144.44 160.55 40.89 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.844 1.658 . . . . 0.0 111.819 174.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -149.49 131.85 15.61 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.246 1.418 . . . . 0.0 111.083 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.2 m -89.57 148.5 23.33 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.914 1.286 . . . . 0.0 110.382 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -115.47 158.36 22.66 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.628 1.571 . . . . 0.0 111.695 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.91 -24.6 67.92 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.582 1.153 . . . . 0.0 113.7 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -73.85 -13.9 60.99 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.112 1.365 . . . . 0.0 113.859 174.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.63 -1.36 68.78 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.384 1.469 . . . . 0.0 114.065 -175.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.6 p -78.27 161.37 27.31 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.3 1.05 . . . . 0.0 111.479 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -131.75 153.2 50.32 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.542 1.137 . . . . 0.0 110.727 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -102.21 143.99 31.31 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.367 1.867 . . . . 0.0 109.799 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -141.78 145.76 35.13 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.553 1.141 . . . . 0.0 113.456 -170.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.62 -175.5 53.24 Favored Glycine 0 N--CA 1.467 0.753 0 CA-C-O 122.054 0.808 . . . . 0.0 114.14 170.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -20.68 66.5 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -168.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -108.22 9.6 28.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.557 1.143 . . . . 0.0 111.677 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 50.72 56.54 7.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.782 1.633 . . . . 0.0 111.555 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.1 mt -81.23 132.37 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 125.608 1.563 . . . . 0.0 109.469 -171.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.09 137.15 35.57 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.501 0.667 . . . . 0.0 112.68 -170.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -66.22 -12.14 54.31 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -81.59 -26.55 34.83 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.529 1.132 . . . . 0.0 112.558 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -123.74 -34.46 3.03 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 -167.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -134.35 -37.3 0.87 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -167.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.4 p -108.94 162.21 14.43 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.13 0.972 . . . . 0.0 112.684 169.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.8 t -105.25 131.72 52.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.308 1.443 . . . . 0.0 111.82 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.21 -8.08 59.64 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 174.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.55 -161.89 20.05 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.83 1.205 . . . . 0.0 113.71 -170.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.98 -3.02 42.91 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.344 1.058 . . . . 0.0 113.743 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.3 p -157.41 154.67 26.07 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 125.836 1.654 . . . . 0.0 111.328 -172.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -69.77 152.76 69.36 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.436 2.757 . . . . 0.0 110.602 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.86 69.22 0.04 OUTLIER Glycine 0 N--CA 1.472 1.086 0 N-CA-C 114.317 0.487 . . . . 0.0 114.317 -171.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -149.64 -178.13 6.26 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.103 2.161 . . . . 0.0 110.425 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.64 -25.86 60.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.815 1.246 . . . . 0.0 113.554 172.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.3 m -103.33 -1.69 28.29 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.2 t30 52.31 54.23 11.07 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.882 1.673 . . . . 0.0 113.112 172.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.1 p -149.86 146.0 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.708 1.203 . . . . 0.0 111.161 -172.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -99.07 137.79 37.1 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.804 1.642 . . . . 0.0 110.848 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 68.0 m -51.16 -36.93 43.5 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.043 1.337 . . . . 0.0 113.923 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -70.13 -31.43 68.95 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -72.05 -11.4 60.74 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.621 -1.3 . . . . 0.0 112.307 173.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.5 mt -80.98 -15.36 56.44 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.472 -0.767 . . . . 0.0 112.399 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 mt -94.99 7.68 45.29 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.488 1.515 . . . . 0.0 112.99 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.4 t -80.67 -178.37 6.73 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.486 1.514 . . . . 0.0 112.11 -177.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -92.67 11.41 26.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.608 1.563 . . . . 0.0 113.781 -170.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -135.12 126.64 28.72 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.352 1.861 . . . . 0.0 108.147 169.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.3 pt -69.58 -14.14 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.263 1.025 . . . . 0.0 113.03 -174.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.0 t -54.44 -36.13 63.71 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.361 1.464 . . . . 0.0 114.007 -169.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.9 -32.74 73.15 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.263 -0.898 . . . . 0.0 112.235 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.17 -39.29 15.63 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.752 1.221 . . . . 0.0 111.626 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.71 85.07 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.182 0.993 . . . . 0.0 113.239 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.47 -32.94 73.29 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.819 -1.176 . . . . 0.0 112.416 175.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 45.3 t -66.45 -40.04 89.19 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.747 0.819 . . . . 0.0 110.915 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.95 83.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.209 1.004 . . . . 0.0 112.844 172.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -62.97 -42.36 99.81 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.613 1.551 . . . . 0.0 112.591 170.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.58 -24.3 67.05 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.437 -0.79 . . . . 0.0 112.856 176.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 91.9 mt -76.74 -48.63 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.484 -0.76 . . . . 0.0 110.548 168.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.05 -28.73 58.68 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.931 1.292 . . . . 0.0 113.755 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -56.44 -25.36 50.29 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.614 1.566 . . . . 0.0 114.945 170.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.4 mtt85 -115.4 -32.98 5.43 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.786 1.634 . . . . 0.0 112.79 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -145.08 82.47 1.66 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.829 2.052 . . . . 0.0 110.119 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.578 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -42.24 -43.49 3.44 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 126.157 1.783 . . . . 0.0 114.171 -171.645 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -145.69 -3.57 0.7 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.547 1.939 . . . . 0.0 112.773 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.51 -15.75 59.8 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.329 1.852 . . . . 0.0 113.88 -167.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.99 -5.7 52.12 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.977 1.311 . . . . 0.0 113.808 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.5 m-90 -118.63 146.12 44.9 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.501 1.52 . . . . 0.0 112.419 -174.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -90.4 -39.88 12.39 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.98 0.912 . . . . 0.0 113.36 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.4 -29.14 73.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 123.687 0.66 . . . . 0.0 112.37 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -66.56 -44.66 81.71 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -82.22 -17.86 44.61 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -94.19 -24.58 17.45 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -131.72 -45.54 0.97 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.5 m -70.46 -7.24 41.88 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -172.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -74.79 -24.89 58.72 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.068 0.947 . . . . 0.0 112.523 173.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.14 -46.96 3.99 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.132 0.873 . . . . 0.0 113.02 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.5 m -153.18 142.63 21.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.868 1.267 . . . . 0.0 111.672 -173.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.6 mt -118.95 149.73 47.28 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.641 1.576 . . . . 0.0 110.945 171.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.67 161.18 40.01 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.729 2.953 . . . . 0.0 111.276 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -78.83 149.73 32.46 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.869 0.867 . . . . 0.0 112.123 172.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 44.6 pt -131.36 -4.0 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 126.551 1.94 . . . . 0.0 113.279 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.2 m -70.16 -9.5 55.84 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.702 -1.249 . . . . 0.0 113.903 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.1 p -85.46 -10.3 56.32 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.823 1.649 . . . . 0.0 113.918 169.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.0 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.905 1.682 . . . . 0.0 112.282 -174.755 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.338 0 N-CA-C 112.126 -0.389 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -157.81 166.82 31.71 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.228 1.811 . . . . 0.0 112.706 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.4 m -110.43 137.12 48.56 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.096 1.358 . . . . 0.0 110.502 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -102.98 159.82 15.17 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.768 1.627 . . . . 0.0 111.396 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.5 t -101.26 163.82 12.09 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.374 1.47 . . . . 0.0 108.304 166.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -58.1 -48.03 81.42 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.938 0.79 . . . . 0.0 112.008 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.65 -38.13 83.81 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.629 -0.669 . . . . 0.0 112.797 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.58 -47.2 86.36 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 123.913 0.768 . . . . 0.0 111.557 174.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.9 tp -64.29 -47.13 80.67 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.917 -1.039 . . . . 0.0 112.149 176.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.2 t -49.39 -46.17 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 119.419 1.008 . . . . 0.0 110.421 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -69.77 -42.5 73.75 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.974 0.91 . . . . 0.0 113.153 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.11 -37.84 88.77 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.417 1.087 . . . . 0.0 111.869 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.2 mt -74.02 -38.15 64.14 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.573 0.749 . . . . 0.0 112.026 174.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.84 -39.31 80.87 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 121.912 -0.493 . . . . 0.0 111.836 171.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -66.17 -31.19 71.88 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.637 1.175 . . . . 0.0 112.783 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -97.09 5.46 50.25 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.431 1.492 . . . . 0.0 114.621 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.81 37.48 6.4 Favored Glycine 0 N--CA 1.472 1.097 0 C-N-CA 124.32 0.962 . . . . 0.0 114.481 171.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -101.34 137.78 39.22 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.908 1.283 . . . . 0.0 109.503 172.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -77.23 140.49 40.11 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.551 0.74 . . . . 0.0 111.596 -173.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -64.75 -24.3 67.52 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -82.24 -15.99 51.15 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.959 0.904 . . . . 0.0 113.38 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.8 mt -98.22 -19.32 17.92 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.813 1.245 . . . . 0.0 112.283 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.1 tpp -49.43 -45.32 46.25 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.108 1.763 . . . . 0.0 113.484 -174.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -56.73 -43.97 81.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.231 1.012 . . . . 0.0 113.045 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -65.53 -47.17 76.82 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.173 0.589 . . . . 0.0 110.943 173.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -62.05 -49.02 77.64 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.518 0.727 . . . . 0.0 112.843 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 m -66.51 -36.59 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.299 0.954 . . . . 0.0 111.709 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -68.58 -38.96 81.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.727 0.694 . . . . 0.0 111.878 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.78 -52.71 63.11 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.39 1.476 . . . . 0.0 110.598 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.01 -38.69 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.574 -0.704 . . . . 0.0 112.082 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -68.79 -31.13 69.91 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.569 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -34.79 60.54 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.826 1.194 . . . . 0.0 111.651 173.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -76.98 -69.06 0.55 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.247 1.019 . . . . 0.0 111.296 -173.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.7 p -107.89 -10.91 15.45 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -175.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.4 m 68.34 28.59 6.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.689 1.595 . . . . 0.0 111.802 -168.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 67.96 34.34 4.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.375 1.87 . . . . 0.0 112.65 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -117.93 113.97 22.5 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.805 0.842 . . . . 0.0 111.804 -177.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 p -69.02 -26.57 65.06 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 122.318 -0.238 . . . . 0.0 111.441 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.0 m -73.81 -6.33 46.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.357 1.063 . . . . 0.0 113.681 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -76.08 143.34 41.39 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.218 -0.926 . . . . 0.0 112.889 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.2 p -148.75 161.49 41.67 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.177 2.191 . . . . 0.0 110.494 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -158.61 131.45 7.14 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.238 1.015 . . . . 0.0 111.755 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m -82.51 135.79 35.03 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.34 1.056 . . . . 0.0 110.178 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -91.75 158.53 16.31 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.018 1.327 . . . . 0.0 111.907 178.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -63.8 -22.22 66.8 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.29 1.036 . . . . 0.0 113.429 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -93.41 8.03 42.14 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.672 1.589 . . . . 0.0 113.892 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.04 -7.23 82.01 Favored Glycine 0 N--CA 1.477 1.411 0 C-N-CA 125.311 1.434 . . . . 0.0 115.608 172.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.0 p -77.53 173.24 12.22 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.842 1.257 . . . . 0.0 111.622 169.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -130.85 164.99 23.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.686 1.194 . . . . 0.0 110.803 174.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.28 150.78 26.85 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.815 1.646 . . . . 0.0 110.315 169.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -145.77 143.02 29.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.353 1.461 . . . . 0.0 113.235 -172.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.32 -178.96 51.06 Favored Glycine 0 N--CA 1.468 0.784 0 O-C-N 121.537 -0.727 . . . . 0.0 114.812 169.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.96 -28.34 68.91 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 115.724 1.75 . . . . 0.0 115.724 -168.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -101.87 8.24 41.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.388 1.075 . . . . 0.0 111.992 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 56.94 54.28 7.22 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.012 1.725 . . . . 0.0 110.659 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.9 mt -84.5 137.2 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.276 1.83 . . . . 0.0 110.684 -169.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -98.02 141.28 31.17 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -172.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -67.81 -9.93 48.49 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -102.7 -3.1 27.03 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.057 1.743 . . . . 0.0 112.796 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -132.55 -39.31 1.01 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 -169.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -144.29 -40.59 0.27 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -168.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 p -104.5 167.73 9.55 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.936 0.895 . . . . 0.0 112.47 169.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.64 139.84 51.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.935 1.294 . . . . 0.0 112.253 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -100.88 -8.4 22.58 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -170.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.08 -154.55 9.68 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.409 1.004 . . . . 0.0 112.944 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.43 -1.27 26.24 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.6 p -158.79 155.87 25.7 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.178 1.391 . . . . 0.0 112.299 -171.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -71.41 159.35 51.81 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.494 2.796 . . . . 0.0 110.669 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.69 71.16 0.03 OUTLIER Glycine 0 N--CA 1.472 1.082 0 O-C-N 121.905 -0.497 . . . . 0.0 114.093 -175.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -151.82 -178.3 6.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.247 2.219 . . . . 0.0 110.649 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.2 -24.63 67.33 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.081 0.952 . . . . 0.0 113.101 175.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.84 -4.11 31.14 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.895 1.278 . . . . 0.0 114.061 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 51.32 53.0 13.66 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.09 1.756 . . . . 0.0 113.349 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.1 p -150.36 142.56 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.546 1.138 . . . . 0.0 111.326 -171.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -92.85 135.58 34.01 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.327 1.451 . . . . 0.0 111.263 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.4 m -48.1 -37.77 16.07 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.222 1.809 . . . . 0.0 114.213 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -72.25 -30.41 64.85 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.75 -20.88 64.39 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.745 -1.222 . . . . 0.0 112.281 174.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.45 -14.85 61.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.626 0.77 . . . . 0.0 112.604 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.2 mt -95.0 7.39 46.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.56 1.544 . . . . 0.0 113.1 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.4 p -78.05 176.73 8.91 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.155 1.382 . . . . 0.0 112.271 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.94 -4.04 57.75 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.605 1.562 . . . . 0.0 114.861 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -116.91 123.93 48.21 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.283 1.433 . . . . 0.0 109.253 169.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.5 pt -66.59 -14.68 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.276 1.03 . . . . 0.0 113.223 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.7 t -53.33 -35.49 60.27 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.434 1.494 . . . . 0.0 114.316 -169.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -61.87 -35.62 78.85 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.577 -0.702 . . . . 0.0 111.865 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.05 -38.35 17.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.131 1.372 . . . . 0.0 111.804 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.36 -42.03 79.77 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.436 1.094 . . . . 0.0 113.042 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -67.76 -32.71 73.49 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.746 -1.221 . . . . 0.0 112.212 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.99 -38.24 82.44 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.744 0.818 . . . . 0.0 111.101 170.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.77 88.37 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.145 0.978 . . . . 0.0 112.739 171.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -61.77 -42.41 98.95 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.343 1.429 . . . . 0.0 112.164 169.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.05 -22.51 64.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.737 0.815 . . . . 0.0 113.08 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 85.3 mt -78.13 -45.17 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.494 -0.753 . . . . 0.0 110.22 168.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -30.25 63.14 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.777 1.231 . . . . 0.0 113.464 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -58.1 -28.58 64.75 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.703 1.601 . . . . 0.0 114.171 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -98.04 -44.07 6.79 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.727 1.611 . . . . 0.0 110.891 176.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -151.16 98.68 2.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.29 2.236 . . . . 0.0 110.485 -174.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -51.86 -40.91 61.36 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -170.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -143.84 -13.4 0.65 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.062 1.345 . . . . 0.0 113.636 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.57 -13.95 62.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.84 1.256 . . . . 0.0 114.038 -172.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.23 -7.54 47.54 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.57 1.148 . . . . 0.0 113.989 174.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 -125.24 124.7 42.25 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.377 1.471 . . . . 0.0 111.164 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -71.77 -38.89 70.28 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -167.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.57 -22.1 74.92 Favored Glycine 0 N--CA 1.474 1.191 0 C-N-CA 123.886 0.755 . . . . 0.0 113.616 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -66.64 -43.55 84.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.603 1.202 . . . . 0.0 111.129 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -86.33 -15.36 40.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -98.8 -31.09 12.05 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -127.2 -42.46 1.7 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -171.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.6 m -72.38 -7.77 51.46 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -73.62 -22.89 59.87 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.992 0.917 . . . . 0.0 112.854 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.64 -33.13 31.68 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 118.769 0.713 . . . . 0.0 113.576 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 m -172.41 143.16 1.37 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 127.288 2.235 . . . . 0.0 110.378 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -110.94 149.42 40.4 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.05 1.34 . . . . 0.0 110.847 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -70.12 148.33 62.49 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.418 2.745 . . . . 0.0 110.632 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -77.3 146.91 36.53 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 122.274 1.035 . . . . 0.0 111.424 171.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.4 pt -130.39 0.81 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.826 2.05 . . . . 0.0 112.641 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.3 m -61.8 -17.89 57.88 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -173.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.1 m -85.78 -6.97 59.03 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.116 1.367 . . . . 0.0 113.837 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.724 1.61 . . . . 0.0 111.96 -176.216 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -155.4 166.48 33.42 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.755 1.622 . . . . 0.0 112.564 -173.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.7 m -109.14 134.64 51.45 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.698 1.199 . . . . 0.0 110.731 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -101.75 156.5 17.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.47 1.908 . . . . 0.0 110.527 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -95.85 161.13 14.14 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.819 1.248 . . . . 0.0 108.577 168.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.19 -45.94 79.6 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.449 1.022 . . . . 0.0 111.876 -175.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.17 -38.13 82.27 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.05 -44.55 60.54 Favored Glycine 0 N--CA 1.468 0.796 0 C-N-CA 124.058 0.837 . . . . 0.0 111.576 176.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.54 -49.81 73.84 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.15 1.38 . . . . 0.0 111.955 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.2 t -50.04 -45.15 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.859 0.863 . . . . 0.0 110.491 174.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -69.42 -43.38 73.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.223 1.009 . . . . 0.0 113.709 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.84 -38.44 90.79 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.824 1.25 . . . . 0.0 111.365 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.2 mt -74.21 -42.15 60.23 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.987 0.915 . . . . 0.0 111.993 175.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -55.68 -42.84 75.71 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.582 0.628 . . . . 0.0 111.67 172.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -63.55 -39.35 94.17 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.43 1.892 . . . . 0.0 112.258 172.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -84.94 8.9 16.0 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.322 1.449 . . . . 0.0 114.365 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.34 25.79 27.47 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.902 1.239 . . . . 0.0 115.226 169.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -87.88 139.64 30.31 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.676 1.238 . . . . 0.0 109.89 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -75.64 136.62 40.44 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.763 0.825 . . . . 0.0 111.859 -175.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.38 -27.72 67.65 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -78.94 -19.61 51.32 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.8 mt -96.9 -19.0 19.14 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.796 1.238 . . . . 0.0 112.33 175.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.6 tpp -47.95 -45.46 31.16 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.345 1.858 . . . . 0.0 113.203 -175.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -56.74 -46.95 81.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.3 1.04 . . . . 0.0 113.118 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -63.92 -44.24 93.51 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.399 0.545 . . . . 0.0 111.192 174.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -64.17 -49.18 73.07 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.574 0.749 . . . . 0.0 112.969 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 m -66.69 -33.51 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 119.224 0.92 . . . . 0.0 111.834 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.4 t -71.35 -43.21 67.39 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.408 0.549 . . . . 0.0 111.893 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -53.46 -53.92 44.41 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.494 1.517 . . . . 0.0 110.345 169.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.95 -42.37 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.762 0.825 . . . . 0.0 111.89 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -63.71 -35.12 79.52 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -85.15 -18.35 34.43 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -88.19 -61.2 1.77 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.028 0.931 . . . . 0.0 111.877 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.3 p -113.5 -8.62 13.35 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m 61.2 30.83 19.48 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.409 1.084 . . . . 0.0 112.69 -169.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 mtm-85 73.25 28.5 1.82 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.079 1.752 . . . . 0.0 112.558 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -119.92 117.5 28.26 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.492 1.517 . . . . 0.0 111.427 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.8 p -69.36 -24.76 63.93 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 119.019 -0.515 . . . . 0.0 112.287 -178.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -78.82 -4.48 49.68 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -73.1 143.08 47.5 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.995 -1.065 . . . . 0.0 112.938 -172.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.6 p -142.57 151.62 41.74 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.095 1.758 . . . . 0.0 111.826 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -145.73 131.84 19.36 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.715 1.606 . . . . 0.0 110.487 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.2 m -104.56 144.34 31.83 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.227 1.411 . . . . 0.0 110.518 -173.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -113.6 161.42 17.45 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.698 1.599 . . . . 0.0 112.403 -172.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -61.4 -25.67 67.34 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.901 1.28 . . . . 0.0 113.939 -176.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -81.01 -5.73 57.94 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.17 0.43 80.48 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.923 1.249 . . . . 0.0 114.293 -175.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.2 p -79.21 158.57 27.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.691 1.197 . . . . 0.0 111.724 170.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -136.68 148.49 47.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.685 1.194 . . . . 0.0 110.927 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -101.95 140.58 36.04 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.464 1.905 . . . . 0.0 110.207 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -138.71 150.84 46.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.975 1.31 . . . . 0.0 112.918 -169.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.12 -178.39 49.24 Favored Glycine 0 N--CA 1.468 0.823 0 O-C-N 121.449 -0.782 . . . . 0.0 113.944 171.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -24.61 67.87 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -169.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -102.06 5.35 40.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.313 1.045 . . . . 0.0 111.95 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 50.36 63.82 2.05 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.037 1.735 . . . . 0.0 111.261 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.407 ' CG2' ' HB2' ' A' ' 61' ' ' TRP . 10.5 mt -86.57 131.99 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.595 1.558 . . . . 0.0 109.774 -173.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -90.82 138.7 31.38 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -67.75 -13.0 61.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -86.57 -26.05 24.69 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.876 0.871 . . . . 0.0 112.635 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -115.97 -35.01 4.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.744 2.128 . . . . 0.0 116.744 -167.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.407 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 57.1 m95 -140.69 -34.04 0.53 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -167.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.3 p -111.1 163.51 13.8 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.448 1.022 . . . . 0.0 112.683 168.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.2 t -106.82 133.93 50.74 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.751 1.621 . . . . 0.0 111.886 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.96 -8.45 59.16 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 175.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.98 -160.52 18.31 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.905 1.241 . . . . 0.0 114.372 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.19 -9.15 59.49 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.261 1.024 . . . . 0.0 113.665 176.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.2 m -146.19 152.64 47.36 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.886 1.674 . . . . 0.0 111.154 -176.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -66.8 154.69 73.65 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.366 2.711 . . . . 0.0 110.487 169.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.46 69.51 0.04 OUTLIER Glycine 0 N--CA 1.473 1.11 0 N-CA-C 114.723 0.649 . . . . 0.0 114.723 -171.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -150.3 -177.46 5.96 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.058 2.143 . . . . 0.0 110.517 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -58.32 -26.06 62.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.605 1.162 . . . . 0.0 113.183 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 52.9 m -102.04 -3.26 27.94 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.081 1.352 . . . . 0.0 114.477 176.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.5 t30 51.73 54.91 10.14 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.799 1.64 . . . . 0.0 113.334 173.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.3 p -150.55 148.03 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.018 1.327 . . . . 0.0 110.813 -173.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -102.44 137.99 39.95 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.574 1.549 . . . . 0.0 111.347 -177.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 67.3 m -51.19 -37.51 47.01 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.608 1.563 . . . . 0.0 114.267 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.2 t -71.24 -32.31 68.61 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.57 -15.24 62.27 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.823 -1.173 . . . . 0.0 112.617 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.94 -13.94 60.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.803 0.841 . . . . 0.0 112.687 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.6 mt -93.98 9.87 35.78 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.449 1.5 . . . . 0.0 112.769 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.1 p -75.46 174.83 9.12 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.745 1.618 . . . . 0.0 112.135 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -88.94 8.07 31.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.785 1.234 . . . . 0.0 113.842 -173.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -132.33 125.92 32.07 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.877 1.671 . . . . 0.0 107.854 168.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.9 pt -66.03 -12.54 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 124.934 1.294 . . . . 0.0 113.389 -173.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -53.91 -35.44 61.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.002 1.721 . . . . 0.0 114.728 -169.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -63.47 -34.75 78.46 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.302 0.956 . . . . 0.0 112.221 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.81 -39.41 20.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.551 1.14 . . . . 0.0 111.317 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.5 87.92 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.19 0.996 . . . . 0.0 113.474 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -68.12 -34.12 75.79 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.955 -1.091 . . . . 0.0 112.371 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.2 t -67.38 -39.21 85.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.598 0.759 . . . . 0.0 111.074 170.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.62 76.0 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.12 0.968 . . . . 0.0 112.733 172.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -64.35 -44.02 92.78 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.454 1.479 . . . . 0.0 112.677 170.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -66.39 -24.71 66.52 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.554 -0.716 . . . . 0.0 112.719 176.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 91.2 mt -74.47 -49.1 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.655 -0.653 . . . . 0.0 110.083 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -30.36 63.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.745 1.218 . . . . 0.0 113.671 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -56.5 -26.5 54.63 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.928 1.691 . . . . 0.0 114.387 169.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -110.48 -33.86 6.48 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.394 1.878 . . . . 0.0 112.272 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -152.31 86.95 1.3 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.774 2.43 . . . . 0.0 110.398 -173.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -49.25 -42.42 40.66 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -170.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -140.09 -4.31 1.35 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.271 1.428 . . . . 0.0 112.793 169.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -12.65 60.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.358 1.863 . . . . 0.0 114.102 -168.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.31 -8.06 59.68 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.548 1.139 . . . . 0.0 113.578 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.9 m-90 -119.35 117.84 29.6 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.535 1.134 . . . . 0.0 113.297 -171.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.414 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . 1.1 m-85 -63.74 -35.1 79.48 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.267 1.827 . . . . 0.0 112.104 176.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.33 -16.89 67.74 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.424 1.488 . . . . 0.0 112.841 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -94.65 -47.55 6.46 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.268 1.027 . . . . 0.0 112.488 171.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 104' ' ' TYR . 19.2 ptpt -70.62 -17.31 62.89 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -98.77 -8.04 26.6 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -137.75 -39.92 0.56 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -170.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.5 m -76.88 -1.64 29.43 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -176.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -84.64 -21.53 30.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.32 1.048 . . . . 0.0 112.795 -174.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.23 -52.55 1.72 Allowed Glycine 0 N--CA 1.471 1.023 0 C-N-CA 124.585 1.088 . . . . 0.0 112.637 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.0 m -153.36 150.65 29.08 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.402 1.481 . . . . 0.0 111.471 -173.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.3 mt -118.93 152.68 52.06 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.345 1.458 . . . . 0.0 111.828 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -68.93 148.61 70.79 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.782 2.988 . . . . 0.0 110.701 173.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -78.88 149.55 32.41 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 122.399 1.095 . . . . 0.0 111.855 172.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.4 pt -133.19 1.05 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 127.094 2.158 . . . . 0.0 112.765 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.4 m -63.66 -12.39 33.52 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -173.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.6 p -88.63 -9.95 50.35 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.065 1.746 . . . . 0.0 114.108 172.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.2 m . . . . . 0 C--O 1.251 1.159 0 C-N-CA 126.078 1.751 . . . . 0.0 112.354 -175.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.079 0 CA-C-O 121.333 0.407 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.41 165.93 34.9 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.131 1.773 . . . . 0.0 112.418 -172.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m -114.74 132.51 56.41 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.691 1.197 . . . . 0.0 110.763 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.68 160.41 14.33 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.679 1.592 . . . . 0.0 111.628 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 t -101.05 165.16 11.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.418 1.487 . . . . 0.0 108.458 166.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -58.18 -49.56 76.6 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.204 0.911 . . . . 0.0 112.033 -173.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.52 -38.03 83.07 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.39 -48.17 81.05 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 123.96 0.79 . . . . 0.0 111.476 174.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.45 -47.22 79.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.336 1.054 . . . . 0.0 112.325 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.0 t -49.59 -46.46 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.302 0.955 . . . . 0.0 110.305 174.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -69.68 -41.0 76.05 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.031 0.932 . . . . 0.0 113.103 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.12 -42.68 99.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.245 1.018 . . . . 0.0 111.13 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.2 mt -71.97 -37.68 69.85 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.893 0.877 . . . . 0.0 112.123 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -58.95 -42.64 90.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.3 0.64 . . . . 0.0 111.99 172.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -66.3 -34.87 78.97 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.594 0.758 . . . . 0.0 112.321 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -85.37 -1.4 56.97 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.19 18.71 18.71 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.122 1.344 . . . . 0.0 115.383 169.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -77.76 161.18 27.89 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.754 1.277 . . . . 0.0 112.17 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -82.92 125.07 30.96 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.659 1.583 . . . . 0.0 110.319 -172.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -66.7 -22.79 66.07 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -85.16 -14.21 47.67 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.159 0.983 . . . . 0.0 113.581 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.77 -9.24 19.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.306 1.042 . . . . 0.0 113.208 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.5 tpp -48.73 -43.16 37.17 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.087 1.355 . . . . 0.0 113.155 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -55.33 -51.27 67.28 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.378 1.071 . . . . 0.0 112.692 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -61.93 -42.09 98.7 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.426 0.691 . . . . 0.0 111.625 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -63.75 -50.87 67.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.451 0.7 . . . . 0.0 112.394 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.6 m -66.91 -34.47 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.016 0.825 . . . . 0.0 111.728 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.21 -34.63 71.03 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.854 0.686 . . . . 0.0 112.854 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.67 -55.18 25.44 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.9 1.68 . . . . 0.0 109.849 169.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -62.13 -40.9 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.705 0.802 . . . . 0.0 112.038 -175.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.12 -41.77 99.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.925 0.49 . . . . 0.0 112.226 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.14 -32.64 69.23 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.794 -1.191 . . . . 0.0 113.249 175.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -77.75 -61.94 1.83 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.736 0.815 . . . . 0.0 112.077 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 97.3 p -113.86 -6.24 13.23 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -175.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.8 m 64.38 26.24 13.53 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.889 1.276 . . . . 0.0 112.366 -168.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 66.38 33.11 7.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.926 1.69 . . . . 0.0 112.774 -176.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -114.05 116.24 28.86 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.917 1.287 . . . . 0.0 111.089 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -69.99 -25.98 63.86 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 119.122 -0.466 . . . . 0.0 112.054 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -76.62 -3.04 35.64 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.362 0.983 . . . . 0.0 113.331 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -75.11 144.03 43.07 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.169 0.988 . . . . 0.0 112.884 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.4 p -146.05 159.69 42.92 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.946 2.098 . . . . 0.0 110.862 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -153.66 128.97 9.79 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.637 0.775 . . . . 0.0 111.88 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -88.37 143.1 27.21 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.372 1.469 . . . . 0.0 110.946 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -104.12 159.6 15.54 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.875 1.27 . . . . 0.0 112.019 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -57.35 -31.03 65.33 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.71 1.204 . . . . 0.0 114.111 175.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -68.51 -17.06 64.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.477 1.911 . . . . 0.0 114.455 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.34 -1.25 69.4 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.952 1.263 . . . . 0.0 114.173 -173.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.2 p -77.84 168.04 20.56 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.582 1.553 . . . . 0.0 111.041 169.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -146.21 145.87 30.59 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.292 1.037 . . . . 0.0 111.655 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.71 150.31 20.51 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.605 1.562 . . . . 0.0 111.129 172.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -144.8 147.78 33.28 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.207 1.803 . . . . 0.0 112.957 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.51 -177.86 52.39 Favored Glycine 0 N--CA 1.467 0.762 0 CA-C-O 122.241 0.912 . . . . 0.0 115.114 169.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -27.88 69.6 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -169.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.17 9.54 41.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.03 0.932 . . . . 0.0 111.456 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 54.41 54.74 8.97 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.356 1.462 . . . . 0.0 110.318 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.4 mt -84.47 129.18 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.43 1.492 . . . . 0.0 110.085 -169.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -94.05 137.38 33.32 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -170.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -66.32 -12.55 57.24 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -176.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -85.81 -15.93 40.38 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.8 1.24 . . . . 0.0 113.006 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -132.9 -34.17 1.13 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -166.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -136.67 -41.95 0.61 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -167.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.5 p -106.37 165.49 11.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.876 0.87 . . . . 0.0 112.141 168.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -116.93 137.57 52.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.542 1.137 . . . . 0.0 112.544 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.83 -8.09 56.37 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -173.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.8 -164.8 16.46 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.603 1.097 . . . . 0.0 113.098 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.47 -8.75 58.87 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m -140.68 153.13 67.64 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 126.133 1.773 . . . . 0.0 110.961 -176.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -69.89 162.5 41.91 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.66 2.907 . . . . 0.0 111.313 173.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.16 72.51 0.03 OUTLIER Glycine 0 N--CA 1.473 1.151 0 N-CA-C 114.393 0.517 . . . . 0.0 114.393 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -153.2 -178.03 6.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.361 2.264 . . . . 0.0 110.578 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.38 -23.06 66.6 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.261 1.025 . . . . 0.0 113.12 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.7 m -101.9 -1.96 30.91 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 173.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.4 t30 52.18 53.93 11.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.992 1.717 . . . . 0.0 113.209 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.3 p -149.79 148.95 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.633 1.173 . . . . 0.0 111.447 -172.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -102.37 134.78 45.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.121 1.769 . . . . 0.0 111.37 -175.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.7 m -51.15 -37.41 46.12 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.523 1.529 . . . . 0.0 113.873 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -71.76 -32.57 67.82 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -73.83 -7.77 53.5 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.753 -1.217 . . . . 0.0 112.398 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.7 mt -81.23 -14.22 57.71 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.417 -0.802 . . . . 0.0 112.648 169.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.4 mt -95.06 6.12 49.97 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.122 1.369 . . . . 0.0 113.382 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 t -79.43 -179.52 6.85 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.611 1.564 . . . . 0.0 112.134 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -91.95 11.34 25.42 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.704 1.601 . . . . 0.0 113.726 -170.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -133.81 125.79 29.2 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.287 1.835 . . . . 0.0 108.352 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.6 pt -69.09 -14.89 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.242 1.017 . . . . 0.0 113.173 -175.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.6 t -54.94 -34.25 63.03 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.0 1.32 . . . . 0.0 114.005 -169.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.62 -35.45 79.61 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.274 -0.891 . . . . 0.0 112.161 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.64 -38.74 21.14 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.348 1.059 . . . . 0.0 111.483 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.34 78.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.276 1.031 . . . . 0.0 113.286 -175.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -67.02 -35.14 79.26 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.87 -1.144 . . . . 0.0 112.228 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.9 t -66.68 -38.96 87.86 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.849 0.86 . . . . 0.0 110.984 172.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.23 77.34 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.128 0.971 . . . . 0.0 112.69 173.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -63.44 -43.85 96.22 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.053 1.297 . . . . 0.0 112.202 171.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -68.56 -21.72 64.52 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.41 -0.806 . . . . 0.0 113.066 176.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 90.9 mt -76.24 -46.0 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.131 -0.98 . . . . 0.0 110.202 168.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -30.57 64.06 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.519 1.128 . . . . 0.0 113.382 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -58.75 -28.31 65.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.643 1.577 . . . . 0.0 114.29 169.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -97.22 -43.96 7.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.5 1.52 . . . . 0.0 110.967 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -151.49 99.93 2.67 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.179 2.191 . . . . 0.0 110.386 -175.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -51.11 -41.04 59.77 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -170.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -142.18 -15.67 0.77 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.766 1.226 . . . . 0.0 113.733 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.01 -13.39 61.6 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -171.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.52 -11.2 60.77 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.16 0.984 . . . . 0.0 113.55 170.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 24.6 m-90 -118.67 110.46 17.33 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.581 1.552 . . . . 0.0 111.485 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -54.29 -37.22 64.53 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.263 -1.335 . . . . 0.0 112.588 169.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -70.06 -8.73 62.06 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.64 1.114 . . . . 0.0 114.537 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -84.6 -61.26 1.83 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.136 1.468 . . . . 0.0 109.354 167.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -66.22 -9.76 35.3 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -70.79 -31.38 68.12 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.255 -0.903 . . . . 0.0 112.923 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.96 -18.17 0.12 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 118.208 2.67 . . . . 0.0 118.208 -168.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 98.7 m -71.4 -32.39 68.36 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.268 1.395 . . . . 0.0 113.288 -172.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -74.25 -11.24 60.22 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.297 1.439 . . . . 0.0 113.581 170.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.26 -48.33 4.86 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.705 1.145 . . . . 0.0 111.506 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 t -166.5 148.67 6.63 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.878 1.271 . . . . 0.0 112.08 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.8 mt -114.76 150.37 43.93 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 125.658 1.583 . . . . 0.0 111.833 174.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -72.46 156.75 53.99 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.87 3.046 . . . . 0.0 111.396 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -79.13 139.32 38.07 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.741 0.816 . . . . 0.0 111.332 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 41.6 pt -128.39 -1.3 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.2 1.8 . . . . 0.0 113.044 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.4 p -66.46 -14.49 62.3 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -172.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 55.6 m -83.88 -7.28 59.47 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.961 1.304 . . . . 0.0 113.819 170.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.688 1.595 . . . . 0.0 112.01 -176.177 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -159.27 -179.83 8.33 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.085 2.154 . . . . 0.0 111.741 -172.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.8 m -139.62 142.03 37.07 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.544 1.138 . . . . 0.0 111.148 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -114.59 158.52 21.59 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.809 1.643 . . . . 0.0 112.032 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 t -102.99 163.24 12.32 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.609 1.564 . . . . 0.0 107.875 166.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -57.5 -45.34 85.04 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.285 0.948 . . . . 0.0 111.901 -174.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.9 m -62.36 -28.65 69.91 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.19 -48.47 9.57 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 124.373 0.987 . . . . 0.0 111.279 173.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.25 -47.65 83.45 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.538 1.135 . . . . 0.0 112.232 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -50.76 -44.95 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.155 0.889 . . . . 0.0 110.576 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -69.71 -43.69 71.89 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.168 0.987 . . . . 0.0 113.122 177.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.0 -42.01 93.34 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.718 1.207 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt -73.61 -40.96 63.44 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.152 0.981 . . . . 0.0 112.194 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -55.6 -40.57 72.25 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.953 0.501 . . . . 0.0 111.773 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -72.41 -25.77 61.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.45 1.1 . . . . 0.0 113.38 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -93.04 2.42 56.78 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.298 1.439 . . . . 0.0 114.348 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.12 33.32 7.34 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 124.604 1.097 . . . . 0.0 114.349 172.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -90.83 146.83 23.61 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.263 1.032 . . . . 0.0 111.327 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -72.11 122.72 21.46 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.949 1.7 . . . . 0.0 110.487 -174.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.99 -26.46 68.86 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -174.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -81.76 -17.01 49.19 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.061 0.944 . . . . 0.0 113.519 174.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -97.84 -11.72 22.96 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.355 1.062 . . . . 0.0 113.122 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -48.21 -42.67 30.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.536 1.534 . . . . 0.0 113.201 -174.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -55.33 -51.04 68.03 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.247 1.019 . . . . 0.0 112.675 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -63.17 -41.22 99.2 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.494 0.718 . . . . 0.0 111.448 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -64.44 -50.23 68.35 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.34 0.656 . . . . 0.0 112.588 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 m -67.42 -33.51 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 119.1 0.864 . . . . 0.0 111.821 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -71.71 -35.35 70.17 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.656 0.662 . . . . 0.0 112.702 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tt -61.86 -55.7 27.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.794 1.638 . . . . 0.0 109.673 169.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.69 -42.83 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.896 0.878 . . . . 0.0 111.946 -176.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -62.41 -38.77 90.97 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -77.64 -25.19 49.52 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.696 -1.252 . . . . 0.0 113.568 176.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -81.86 -55.57 4.52 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.564 0.746 . . . . 0.0 112.001 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -119.77 -4.53 10.21 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.864 -1.148 . . . . 0.0 113.871 -172.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 m 60.17 19.07 8.41 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.992 1.317 . . . . 0.0 113.005 -169.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 69.51 32.74 3.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.573 1.949 . . . . 0.0 113.187 -172.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -110.54 118.47 36.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.952 1.301 . . . . 0.0 109.565 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -66.88 -28.66 68.51 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 121.555 -0.715 . . . . 0.0 111.771 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 m -72.2 -8.24 53.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.903 1.281 . . . . 0.0 114.287 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -76.64 140.23 40.89 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.999 -1.063 . . . . 0.0 113.044 -171.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.2 p -136.52 158.21 44.97 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.802 1.641 . . . . 0.0 111.729 172.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -146.74 126.92 13.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.28 1.432 . . . . 0.0 110.709 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -93.67 137.91 32.44 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.729 1.212 . . . . 0.0 110.058 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -98.49 157.77 16.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.528 1.531 . . . . 0.0 111.781 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -63.02 -23.35 67.41 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.366 1.066 . . . . 0.0 113.239 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -85.59 3.25 41.53 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.659 1.584 . . . . 0.0 113.701 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.52 -1.89 84.34 Favored Glycine 0 N--CA 1.475 1.252 0 C-N-CA 125.367 1.461 . . . . 0.0 115.677 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.5 p -87.04 163.38 17.07 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.621 1.211 . . . . 0.0 111.741 171.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -129.05 149.2 50.97 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.51 1.124 . . . . 0.0 111.228 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -101.29 142.17 33.09 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.355 1.862 . . . . 0.0 109.854 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -139.81 146.89 39.99 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.75 1.22 . . . . 0.0 113.555 -169.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.55 -176.79 52.07 Favored Glycine 0 N--CA 1.469 0.894 0 O-C-N 121.613 -0.679 . . . . 0.0 114.276 170.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.15 -23.29 67.26 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -169.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -103.5 6.2 37.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.44 1.096 . . . . 0.0 112.006 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 50.95 59.4 4.64 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.702 1.601 . . . . 0.0 111.642 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.4 ' CG2' ' HB2' ' A' ' 61' ' ' TRP . 18.0 mt -85.17 135.53 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.523 1.529 . . . . 0.0 109.481 -173.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -97.11 138.71 34.2 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -169.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.12 -11.1 36.27 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -102.03 -3.94 26.84 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.413 1.485 . . . . 0.0 112.759 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -126.22 -44.68 1.72 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.4 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 69.7 m95 -142.98 -28.56 0.56 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -168.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.3 p -113.79 166.4 11.6 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.29 1.036 . . . . 0.0 112.856 169.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -110.05 131.01 55.44 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.903 1.681 . . . . 0.0 112.225 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -85.45 -10.42 56.16 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.87 -157.86 17.72 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.481 1.038 . . . . 0.0 113.266 -170.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.17 1.06 29.69 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 t -160.74 145.36 10.57 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.784 1.234 . . . . 0.0 111.312 -171.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -66.19 155.83 67.84 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 123.374 2.716 . . . . 0.0 111.063 171.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 167.82 74.92 0.03 OUTLIER Glycine 0 N--CA 1.472 1.065 0 O-C-N 121.896 -0.502 . . . . 0.0 113.701 -172.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -154.57 176.95 11.75 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.16 2.184 . . . . 0.0 110.641 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.93 -21.1 60.68 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.692 1.197 . . . . 0.0 113.497 171.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.6 m -106.49 -2.46 21.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.01 1.324 . . . . 0.0 113.927 174.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.0 t30 52.2 53.72 11.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.047 1.739 . . . . 0.0 113.294 171.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.73 143.76 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.554 1.142 . . . . 0.0 111.604 -171.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -96.31 135.73 37.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.912 1.685 . . . . 0.0 111.097 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.1 m -49.2 -36.85 20.91 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.054 1.742 . . . . 0.0 113.944 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.1 t -69.54 -32.59 71.49 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -71.63 -10.06 59.19 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.625 -1.297 . . . . 0.0 112.719 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.75 -14.29 54.77 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.522 -0.736 . . . . 0.0 112.365 173.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.4 mt -95.55 9.89 38.56 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.614 1.566 . . . . 0.0 113.223 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 t -90.66 -171.16 2.95 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.707 1.603 . . . . 0.0 112.877 -169.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -90.55 4.43 51.22 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.45 1.9 . . . . 0.0 115.206 -172.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -135.2 124.6 24.82 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.896 1.678 . . . . 0.0 109.327 169.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.1 pt -70.04 -14.4 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.973 1.309 . . . . 0.0 113.118 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.8 t -54.46 -33.0 58.81 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.643 1.577 . . . . 0.0 114.073 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.95 -34.44 77.5 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.446 0.698 . . . . 0.0 112.218 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.99 -38.02 16.99 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.786 1.234 . . . . 0.0 111.556 174.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.41 -40.78 77.12 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.899 0.879 . . . . 0.0 113.239 -176.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -70.71 -31.52 68.42 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.564 -1.335 . . . . 0.0 112.458 174.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.5 t -65.55 -39.96 92.32 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.615 0.766 . . . . 0.0 110.782 169.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.7 83.4 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.269 1.028 . . . . 0.0 112.89 173.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -63.64 -41.04 98.28 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.489 1.495 . . . . 0.0 112.468 170.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -68.09 -22.91 64.89 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.595 0.758 . . . . 0.0 112.935 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 93.3 mt -76.74 -49.3 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.826 0.85 . . . . 0.0 109.798 168.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -28.18 62.29 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.045 1.338 . . . . 0.0 114.038 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -58.08 -24.32 58.12 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.031 2.133 . . . . 0.0 114.212 171.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -116.05 -33.92 4.89 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.014 1.726 . . . . 0.0 112.745 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -144.23 81.62 1.68 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.855 2.062 . . . . 0.0 110.16 -174.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.575 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -41.89 -45.57 3.75 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.03 1.732 . . . . 0.0 114.132 -170.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -142.61 -3.47 1.02 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.142 1.777 . . . . 0.0 112.758 171.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.95 -15.9 61.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.202 1.801 . . . . 0.0 113.752 -167.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.96 -8.85 58.68 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.995 1.318 . . . . 0.0 113.455 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 24.0 m-90 -119.81 117.77 29.04 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.913 1.285 . . . . 0.0 113.014 -173.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -58.37 -39.69 80.27 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.136 1.375 . . . . 0.0 112.028 169.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.01 -6.53 45.99 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.902 1.239 . . . . 0.0 114.547 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -92.73 -65.84 0.97 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.582 1.191 . . . . 0.0 109.26 167.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -58.4 -27.56 64.39 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -172.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -69.44 -20.45 63.77 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.99 -21.96 0.21 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 -174.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 86.9 m -68.87 -19.61 64.24 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.05 -17.58 60.46 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 173.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -92.42 -54.59 1.8 Allowed Glycine 0 C--N 1.342 0.891 0 C-N-CA 124.818 1.199 . . . . 0.0 111.895 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -153.0 140.8 20.06 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.427 1.091 . . . . 0.0 112.034 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 98.3 mt -115.21 149.74 43.19 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.269 1.428 . . . . 0.0 111.124 169.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.11 159.92 43.5 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.851 3.034 . . . . 0.0 111.286 176.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -79.32 149.23 31.82 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.903 0.858 . . . . 0.0 112.129 172.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.6 pt -132.1 -3.89 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.628 1.971 . . . . 0.0 113.285 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.6 m -69.94 -9.0 53.48 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.712 -1.242 . . . . 0.0 113.958 -175.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 p -85.01 -10.42 57.01 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.778 1.631 . . . . 0.0 113.806 169.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.1 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.958 1.703 . . . . 0.0 112.271 -175.137 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 N-CA-C 112.372 -0.291 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -159.87 162.8 34.69 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.514 1.926 . . . . 0.0 112.346 -173.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 m -111.06 132.19 54.45 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.533 1.133 . . . . 0.0 110.679 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -97.15 154.94 17.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.168 1.787 . . . . 0.0 110.628 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 t -92.39 161.78 14.52 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.558 1.143 . . . . 0.0 108.734 168.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.82 -47.23 80.77 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.405 1.002 . . . . 0.0 111.906 -174.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.08 -39.16 88.84 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.542 -0.724 . . . . 0.0 112.754 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.34 -44.44 93.46 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 123.849 0.737 . . . . 0.0 111.686 175.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.74 -49.31 73.54 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.076 1.35 . . . . 0.0 111.964 175.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.08 -46.01 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.901 0.88 . . . . 0.0 110.445 173.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -69.55 -43.26 73.3 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.11 0.964 . . . . 0.0 113.431 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.04 -39.3 94.33 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.332 1.053 . . . . 0.0 111.248 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.96 -38.39 64.23 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.701 0.8 . . . . 0.0 112.169 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -58.16 -39.7 79.53 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.845 -0.534 . . . . 0.0 111.929 172.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -66.64 -34.76 78.58 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.958 0.903 . . . . 0.0 112.503 172.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.05 5.65 48.04 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.119 1.368 . . . . 0.0 114.476 -174.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.82 34.69 7.16 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 124.412 1.006 . . . . 0.0 114.572 170.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -98.96 136.73 38.52 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.931 1.293 . . . . 0.0 109.299 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -77.11 139.44 39.97 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.31 0.644 . . . . 0.0 111.987 -172.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.38 -26.65 67.98 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -177.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -82.39 -16.87 47.53 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -97.67 -17.99 19.13 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.72 1.208 . . . . 0.0 112.325 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.2 tpp -49.21 -44.57 43.35 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.997 1.719 . . . . 0.0 113.244 -174.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -56.82 -46.27 81.75 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.247 1.019 . . . . 0.0 113.018 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -63.93 -44.59 92.41 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.212 0.605 . . . . 0.0 111.268 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -64.58 -49.51 70.89 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.437 0.695 . . . . 0.0 112.769 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -66.27 -34.33 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.358 0.981 . . . . 0.0 111.908 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -70.47 -43.64 69.38 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.76 0.709 . . . . 0.0 111.498 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -54.99 -53.01 61.16 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.95 1.3 . . . . 0.0 110.36 170.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.13 -40.4 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.559 0.744 . . . . 0.0 112.059 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.85 -40.36 97.22 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 175.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -83.36 -16.25 46.75 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -91.93 -57.1 2.84 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.31 1.044 . . . . 0.0 111.795 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 m -126.27 4.79 7.03 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -170.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 m 60.96 22.65 12.83 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.462 1.505 . . . . 0.0 114.025 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtm-85 68.1 25.37 7.46 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.71 1.604 . . . . 0.0 113.032 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -118.05 118.48 32.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.175 1.79 . . . . 0.0 111.166 -176.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -68.27 -25.38 65.13 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -75.13 -8.34 56.29 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -74.29 136.76 42.62 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 120.971 -1.08 . . . . 0.0 113.086 -172.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.5 p -139.59 155.19 47.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.865 2.066 . . . . 0.0 111.518 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -149.59 129.08 13.03 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.998 1.319 . . . . 0.0 111.62 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 m -89.2 144.17 26.3 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.977 1.311 . . . . 0.0 110.512 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -108.87 159.24 16.95 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.797 1.639 . . . . 0.0 111.931 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -62.27 -23.55 66.77 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.485 1.114 . . . . 0.0 113.371 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -77.75 -6.87 55.49 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.493 1.517 . . . . 0.0 113.998 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.3 -2.88 83.8 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.412 1.482 . . . . 0.0 114.546 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.3 p -83.75 162.84 20.53 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.939 1.296 . . . . 0.0 111.627 170.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -128.4 152.02 48.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.778 1.231 . . . . 0.0 110.933 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -100.65 143.16 31.14 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.76 2.024 . . . . 0.0 109.715 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -141.84 147.94 38.02 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.681 1.192 . . . . 0.0 112.992 -170.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.12 -176.9 49.14 Favored Glycine 0 CA--C 1.526 0.721 0 O-C-N 121.766 -0.584 . . . . 0.0 113.783 172.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -13.12 61.02 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 117.006 2.225 . . . . 0.0 117.006 -168.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -115.23 15.87 16.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.808 1.243 . . . . 0.0 111.551 176.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 44.5 57.13 4.6 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.132 1.773 . . . . 0.0 111.942 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.6 mt -83.1 130.95 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.415 1.086 . . . . 0.0 109.94 -171.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -93.29 138.3 31.79 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -170.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.39 -11.7 52.92 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -82.89 -18.48 40.09 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.023 0.929 . . . . 0.0 112.798 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -130.61 -59.63 1.01 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -167.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -102.16 -50.82 3.53 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -166.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.12 162.92 12.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.174 1.39 . . . . 0.0 112.439 170.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.4 t -108.74 134.94 50.78 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.61 1.964 . . . . 0.0 112.184 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -86.31 -10.91 53.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.14 -158.94 14.17 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 124.426 1.012 . . . . 0.0 114.14 -169.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.04 0.4 36.0 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.7 t -158.25 145.9 13.59 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.949 1.3 . . . . 0.0 111.209 -174.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -63.72 143.63 87.15 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.125 2.55 . . . . 0.0 110.197 169.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.98 34.7 0.03 OUTLIER Glycine 0 N--CA 1.475 1.262 0 N-CA-C 116.008 1.163 . . . . 0.0 116.008 -169.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -121.47 -173.56 2.66 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.038 1.735 . . . . 0.0 110.223 175.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.24 -28.64 63.1 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -168.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.57 7.65 35.19 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.5 t30 56.46 47.97 17.74 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.711 1.604 . . . . 0.0 112.648 170.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.7 p -150.9 143.63 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.563 1.545 . . . . 0.0 110.027 -170.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -96.25 137.27 35.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.852 1.261 . . . . 0.0 111.376 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.5 m -48.84 -36.6 17.26 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.266 1.826 . . . . 0.0 114.385 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -70.79 -31.65 68.49 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -70.39 -15.81 62.89 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.73 -1.232 . . . . 0.0 112.713 175.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.21 -13.57 59.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.103 0.961 . . . . 0.0 112.338 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 mt -94.9 10.67 34.53 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.678 1.591 . . . . 0.0 112.89 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p -87.87 -171.13 3.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.149 1.38 . . . . 0.0 112.555 -173.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -90.7 1.35 56.92 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.737 2.015 . . . . 0.0 115.092 -173.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -132.54 122.68 25.19 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.086 1.354 . . . . 0.0 109.407 169.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.6 pt -66.35 -13.5 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.915 1.686 . . . . 0.0 113.38 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.8 t -53.07 -34.13 55.12 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.94 1.696 . . . . 0.0 114.486 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -63.83 -34.17 77.32 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.658 -0.651 . . . . 0.0 111.925 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.78 -40.01 15.39 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.092 1.357 . . . . 0.0 111.335 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.76 88.93 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.16 0.984 . . . . 0.0 112.963 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.39 -33.41 74.2 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.033 -1.042 . . . . 0.0 112.616 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 36.7 t -66.2 -40.33 90.3 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.964 0.906 . . . . 0.0 110.967 171.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.1 82.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.562 1.145 . . . . 0.0 113.088 173.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -60.42 -42.5 96.14 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.444 1.475 . . . . 0.0 112.415 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -68.08 -20.61 64.96 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 87.1 mt -81.08 -43.78 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.372 -0.83 . . . . 0.0 111.056 169.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -30.05 67.98 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.235 -0.916 . . . . 0.0 112.701 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -57.77 -20.28 33.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.559 1.543 . . . . 0.0 114.954 169.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -114.74 -32.7 5.74 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.503 1.521 . . . . 0.0 112.879 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -134.63 -3.97 2.59 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -169.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . 0.318 0.0 OUTLIER 43.82 -56.18 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 131.234 3.814 . . . . 0.0 117.407 -168.074 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -142.73 -9.22 0.82 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.459 1.903 . . . . 0.0 113.501 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.98 -12.65 60.0 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.063 1.345 . . . . 0.0 114.05 -171.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.35 -6.86 46.32 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.237 1.015 . . . . 0.0 113.469 173.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -123.47 142.67 50.77 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.856 1.663 . . . . 0.0 111.647 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -85.38 -39.02 18.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -170.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.52 -29.39 75.02 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.034 0.826 . . . . 0.0 113.109 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -62.96 -40.35 97.41 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 117.979 0.89 . . . . 0.0 113.041 175.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -94.95 -15.17 23.8 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -98.23 -22.1 16.33 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.6 1.16 . . . . 0.0 113.98 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -133.03 -47.17 0.85 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.6 m -70.3 -8.1 47.67 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 -170.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -74.6 -20.97 59.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.869 0.867 . . . . 0.0 112.913 174.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.73 -35.55 28.14 Favored Glycine 0 C--N 1.344 1.023 0 CA-C-N 118.762 0.71 . . . . 0.0 113.314 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -174.12 148.4 1.34 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.628 2.371 . . . . 0.0 110.391 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.4 mt -110.67 148.28 38.19 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.057 1.343 . . . . 0.0 110.71 170.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -71.91 150.5 55.31 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.393 2.729 . . . . 0.0 110.749 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -77.34 147.64 36.04 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 122.247 1.023 . . . . 0.0 111.457 170.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.3 pt -131.81 0.7 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.907 2.083 . . . . 0.0 112.626 -178.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 m -63.67 -13.02 38.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -173.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.3 p -89.06 -10.37 47.69 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.923 1.689 . . . . 0.0 114.13 172.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.9 m . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.077 1.751 . . . . 0.0 112.24 -176.279 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.54 165.76 31.25 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.752 2.021 . . . . 0.0 113.117 -178.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 m -99.98 148.71 24.21 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.987 1.715 . . . . 0.0 109.722 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -114.19 154.1 28.45 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.434 1.894 . . . . 0.0 110.095 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 t -94.44 161.77 14.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.822 1.249 . . . . 0.0 108.988 169.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -56.52 -47.53 79.16 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.28 0.945 . . . . 0.0 111.766 -175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -60.28 -37.72 81.38 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.81 -45.95 62.54 Favored Glycine 0 C--N 1.339 0.718 0 C-N-CA 124.141 0.877 . . . . 0.0 111.601 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.12 -49.75 74.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.149 1.38 . . . . 0.0 111.792 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -50.3 -45.87 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.886 0.874 . . . . 0.0 110.568 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -68.89 -43.41 75.33 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -61.94 -42.5 99.18 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.414 1.086 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.68 -40.46 69.58 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.984 0.914 . . . . 0.0 112.199 177.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -56.44 -40.48 74.86 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.321 0.509 . . . . 0.0 111.81 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.71 -28.7 63.87 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.099 0.96 . . . . 0.0 113.141 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.25 4.87 51.22 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.292 1.437 . . . . 0.0 114.317 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.83 32.27 8.11 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 124.564 1.078 . . . . 0.0 114.675 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -96.88 136.86 36.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.716 1.206 . . . . 0.0 109.458 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -72.18 134.14 45.52 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.621 0.768 . . . . 0.0 111.639 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.23 -24.98 65.28 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -78.85 -21.31 47.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.285 1.434 . . . . 0.0 112.504 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.6 mt -99.55 -13.24 19.53 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.992 1.317 . . . . 0.0 112.809 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.2 tpp -51.11 -43.75 61.16 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.4 1.48 . . . . 0.0 112.916 -174.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -54.44 -49.41 70.08 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.093 0.957 . . . . 0.0 112.375 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -61.9 -46.74 88.07 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.714 0.805 . . . . 0.0 110.669 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -63.26 -49.62 73.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.794 0.838 . . . . 0.0 112.368 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 m -67.13 -35.52 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.215 0.916 . . . . 0.0 111.839 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.13 -32.87 67.33 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.957 0.799 . . . . 0.0 112.804 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.31 -55.25 22.59 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.931 1.692 . . . . 0.0 109.496 169.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.9 t -59.77 -39.15 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.05 0.94 . . . . 0.0 112.055 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.92 -19.24 64.96 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -95.64 -36.45 11.22 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.639 1.109 . . . . 0.0 112.368 172.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -74.22 -57.39 3.99 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.174 0.59 . . . . 0.0 111.314 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -112.8 -8.85 13.72 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.14 -0.975 . . . . 0.0 113.381 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m 63.52 24.85 14.22 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.81 1.244 . . . . 0.0 112.786 -169.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 71.27 28.74 2.94 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.626 1.57 . . . . 0.0 112.538 -174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -118.55 115.07 23.82 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.9 1.28 . . . . 0.0 112.216 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.1 p -64.91 -25.69 67.99 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.8 m -79.5 -5.68 55.34 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -74.44 140.41 44.63 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.875 -1.141 . . . . 0.0 113.034 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.5 p -137.75 156.15 48.28 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.005 1.722 . . . . 0.0 111.988 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -148.0 131.96 17.18 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.011 1.324 . . . . 0.0 111.413 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 m -88.18 144.23 26.58 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.717 1.207 . . . . 0.0 110.054 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -103.46 157.3 17.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.449 1.499 . . . . 0.0 111.81 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -63.45 -22.37 66.85 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.267 1.027 . . . . 0.0 113.13 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -81.8 -0.62 44.13 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.651 1.58 . . . . 0.0 113.666 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.33 -2.11 84.82 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.567 1.556 . . . . 0.0 115.325 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.5 p -86.99 164.65 16.38 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.293 1.437 . . . . 0.0 111.71 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -127.62 150.93 49.51 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.86 -1.15 . . . . 0.0 111.361 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -104.45 143.41 33.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.782 2.033 . . . . 0.0 110.164 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -141.22 150.09 42.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.036 1.334 . . . . 0.0 113.2 -170.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.52 -176.25 50.61 Favored Glycine 0 N--CA 1.468 0.803 0 CA-C-O 121.89 0.716 . . . . 0.0 113.987 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 tp -65.18 -23.1 67.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 -168.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -105.57 9.46 33.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.338 1.055 . . . . 0.0 111.774 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 50.84 57.04 7.08 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.542 1.537 . . . . 0.0 111.504 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.1 mt -84.21 136.08 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 125.276 1.43 . . . . 0.0 109.748 -172.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -94.46 138.78 31.97 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -169.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -67.89 -10.92 57.17 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -102.58 -15.79 16.29 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.692 1.197 . . . . 0.0 112.325 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -118.14 -28.21 5.89 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -168.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -147.33 -51.11 0.19 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -168.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -98.55 168.85 9.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.85 1.26 . . . . 0.0 112.186 169.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -115.46 135.63 53.91 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.971 1.708 . . . . 0.0 112.355 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -77.08 -13.93 59.88 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.7 -167.31 26.09 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.016 0.817 . . . . 0.0 113.256 -171.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.17 -8.66 59.53 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.2 m -139.29 150.77 65.49 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 126.343 1.857 . . . . 0.0 110.692 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.25 154.83 71.32 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.225 2.617 . . . . 0.0 110.58 173.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.5 54.15 0.01 OUTLIER Glycine 0 N--CA 1.472 1.062 0 N-CA-C 114.249 0.46 . . . . 0.0 114.249 -173.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -143.89 -175.29 4.53 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.902 2.081 . . . . 0.0 110.276 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.67 -23.99 45.58 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -169.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 72.1 m -113.64 10.45 18.0 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.832 1.253 . . . . 0.0 114.316 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.7 t30 56.48 47.63 18.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.922 1.689 . . . . 0.0 112.586 171.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.1 p -152.72 148.49 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.302 1.441 . . . . 0.0 110.27 -170.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -103.2 135.36 44.99 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.599 1.56 . . . . 0.0 111.105 -173.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.1 m -50.24 -37.4 35.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.204 1.402 . . . . 0.0 114.152 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -76.06 -26.65 56.75 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -22.19 63.69 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.812 -1.18 . . . . 0.0 112.174 173.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.66 -13.75 61.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.679 0.792 . . . . 0.0 112.67 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.2 mt -94.21 1.85 55.98 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.41 1.484 . . . . 0.0 112.79 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.0 p -79.34 170.07 17.15 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.782 1.233 . . . . 0.0 111.615 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -78.52 6.47 8.53 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -169.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -127.8 123.29 34.85 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.313 1.445 . . . . 0.0 109.207 169.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.5 pt -66.02 -14.1 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.405 1.482 . . . . 0.0 113.327 -176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.1 t -54.57 -33.26 59.91 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.59 1.556 . . . . 0.0 114.538 -169.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -36.16 82.77 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.567 -0.708 . . . . 0.0 111.501 176.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.13 -40.42 18.25 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.538 1.135 . . . . 0.0 111.264 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.53 93.72 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.048 0.939 . . . . 0.0 112.974 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -65.45 -35.14 80.03 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.94 -1.1 . . . . 0.0 112.653 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 36.1 t -67.44 -39.72 85.4 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.602 0.761 . . . . 0.0 111.22 172.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.41 88.88 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.195 0.998 . . . . 0.0 112.587 172.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -61.28 -42.25 98.33 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.234 1.379 . . . . 0.0 112.55 170.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.74 -26.36 66.95 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.2 mt -74.93 -44.89 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.41 -0.806 . . . . 0.0 110.644 169.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -24.59 57.75 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.077 1.351 . . . . 0.0 114.081 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -58.03 -19.14 29.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.628 1.571 . . . . 0.0 114.942 169.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -127.53 -32.06 2.44 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.288 1.435 . . . . 0.0 112.789 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -140.39 85.52 2.01 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.663 1.585 . . . . 0.0 110.538 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -54.24 -38.57 65.91 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -170.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -142.78 -15.84 0.71 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.106 1.362 . . . . 0.0 113.532 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.58 -14.83 62.2 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.667 1.187 . . . . 0.0 114.137 -172.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.85 -7.29 47.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.381 1.072 . . . . 0.0 113.67 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.6 m-90 -125.89 127.93 46.8 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 125.42 1.488 . . . . 0.0 111.582 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.97 -33.22 67.98 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -171.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.32 -38.95 95.44 Favored Glycine 0 C--N 1.339 0.724 0 C-N-CA 124.032 0.825 . . . . 0.0 113.16 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -64.39 -41.51 96.63 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -83.67 -9.95 58.51 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -95.42 -34.7 12.01 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.153 1.381 . . . . 0.0 113.984 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.91 -32.14 0.81 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.689 1.737 . . . . 0.0 115.689 -173.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 59.6 m -70.78 -9.89 58.35 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 120.815 -1.178 . . . . 0.0 114.062 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -72.74 -23.01 60.78 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.224 1.009 . . . . 0.0 112.538 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -88.67 -49.53 3.6 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 124.305 0.955 . . . . 0.0 112.81 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.0 m -153.54 145.35 23.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.045 1.338 . . . . 0.0 111.699 -174.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.2 mt -119.53 150.01 49.06 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 125.599 1.56 . . . . 0.0 110.976 171.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -74.2 157.69 45.9 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.798 2.999 . . . . 0.0 110.939 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -79.03 148.77 32.38 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 122.166 0.984 . . . . 0.0 111.734 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.0 pt -128.01 -1.5 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.908 2.083 . . . . 0.0 112.679 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.0 m -66.5 -14.27 62.04 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.46 1.104 . . . . 0.0 113.937 -174.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.3 p -88.12 -10.31 50.45 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.949 1.699 . . . . 0.0 113.996 173.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.797 1.639 . . . . 0.0 112.133 -176.426 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.056 0 N-CA-C 111.921 -0.472 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -157.03 163.7 38.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.769 1.628 . . . . 0.0 112.672 -172.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 m -106.49 135.58 47.74 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.799 1.239 . . . . 0.0 110.654 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -103.26 155.82 18.17 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.282 1.833 . . . . 0.0 110.677 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 p -82.47 169.05 16.82 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.508 1.123 . . . . 0.0 108.504 166.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -60.99 -37.92 84.17 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.86 -0.525 . . . . 0.0 109.6 167.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.4 m -64.86 -40.95 95.94 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.17 -44.88 58.66 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 124.331 0.967 . . . . 0.0 111.429 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.42 -47.8 77.75 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.427 1.114 . . . . 0.0 112.254 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.37 -41.71 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 119.29 0.95 . . . . 0.0 110.892 175.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -73.66 -42.03 61.91 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.231 1.012 . . . . 0.0 113.161 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.22 -39.25 93.59 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.248 1.019 . . . . 0.0 111.051 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -73.88 -38.45 64.4 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.449 -0.782 . . . . 0.0 111.99 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -56.08 -43.01 77.61 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.091 0.557 . . . . 0.0 111.93 170.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -65.61 -36.99 85.32 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.987 0.915 . . . . 0.0 112.34 173.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -86.23 -2.47 58.41 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.15 24.01 8.22 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.763 1.173 . . . . 0.0 115.172 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 14.5 m-85 -88.4 136.4 33.0 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.552 1.141 . . . . 0.0 109.936 175.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -69.81 131.83 45.11 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.424 0.69 . . . . 0.0 110.931 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -66.79 -19.38 65.73 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -176.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -76.09 -23.9 54.98 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 171.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.2 mt -90.83 -16.63 27.96 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.542 1.137 . . . . 0.0 112.332 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.4 tpp -50.18 -44.56 52.9 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.669 1.588 . . . . 0.0 113.435 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -55.4 -42.52 74.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.085 0.954 . . . . 0.0 113.015 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -67.98 -47.24 69.11 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.357 0.663 . . . . 0.0 111.164 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -62.14 -48.68 79.05 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.577 0.751 . . . . 0.0 112.51 -178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 m -66.5 -35.78 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 119.186 0.903 . . . . 0.0 111.853 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -71.2 -38.45 72.06 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.077 0.853 . . . . 0.0 112.188 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.32 -55.5 33.94 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.581 1.552 . . . . 0.0 109.844 169.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.9 t -60.1 -39.92 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.968 0.907 . . . . 0.0 112.173 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -63.69 -26.59 68.73 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -86.37 -39.06 16.79 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.585 1.084 . . . . 0.0 112.266 172.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.1 -55.78 5.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.034 0.534 . . . . 0.0 111.345 -172.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.9 p -112.57 -11.25 13.61 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m 68.03 24.15 7.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.574 1.55 . . . . 0.0 112.762 -169.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 69.68 27.81 4.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.171 1.388 . . . . 0.0 112.481 -175.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -119.0 118.42 31.45 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.254 1.422 . . . . 0.0 111.406 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.6 p -68.16 -25.61 65.34 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 119.078 -0.487 . . . . 0.0 112.082 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.8 m -77.67 -4.53 46.58 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -73.51 144.37 46.18 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.913 -1.117 . . . . 0.0 112.882 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 p -146.15 152.43 39.25 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.548 1.939 . . . . 0.0 111.382 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -149.51 124.23 9.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.445 1.498 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 m -92.97 142.73 26.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.942 1.297 . . . . 0.0 110.537 -176.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -106.16 159.63 15.94 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.573 1.549 . . . . 0.0 112.254 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -63.65 -23.36 67.34 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.57 1.148 . . . . 0.0 113.316 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -71.28 -15.59 62.43 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.591 1.556 . . . . 0.0 113.764 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.24 -4.94 74.63 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.549 1.547 . . . . 0.0 114.077 -176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.9 p -80.38 162.43 24.49 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.981 1.313 . . . . 0.0 111.762 170.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -128.74 150.18 50.39 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.686 1.194 . . . . 0.0 111.221 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -101.72 139.88 36.77 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.317 1.847 . . . . 0.0 109.462 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -138.79 148.99 44.48 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.573 1.149 . . . . 0.0 113.046 -169.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.53 -175.35 53.23 Favored Glycine 0 N--CA 1.467 0.715 0 O-C-N 121.51 -0.743 . . . . 0.0 114.282 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.97 -21.7 66.88 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -168.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -108.49 9.96 27.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.492 1.117 . . . . 0.0 111.673 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 50.31 57.46 6.56 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.821 1.648 . . . . 0.0 111.508 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.425 HD13 ' SG ' ' A' ' 90' ' ' CYS . 15.9 mt -84.5 133.35 29.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.301 1.44 . . . . 0.0 109.747 -171.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -93.59 137.92 32.37 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -170.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -66.37 -11.56 52.02 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -83.54 -18.01 39.84 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.003 0.921 . . . . 0.0 112.758 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -130.77 -59.1 1.01 Allowed 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -167.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -102.8 -50.79 3.44 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -166.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -102.12 162.97 12.5 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.363 1.465 . . . . 0.0 111.865 169.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.6 t -111.05 135.74 51.11 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.878 1.671 . . . . 0.0 112.447 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -78.85 -13.73 59.64 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.57 -167.16 25.31 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.045 0.831 . . . . 0.0 112.971 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.23 -7.92 57.71 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.8 m -139.5 150.77 64.86 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 126.058 1.743 . . . . 0.0 111.068 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -68.92 157.01 63.57 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.452 2.768 . . . . 0.0 110.725 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.57 40.82 0.02 OUTLIER Glycine 0 N--CA 1.476 1.342 0 N-CA-C 116.181 1.232 . . . . 0.0 116.181 -176.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -128.32 -173.25 2.9 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.309 1.844 . . . . 0.0 110.425 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -57.27 -26.78 61.36 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -169.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 62.9 m -105.9 7.29 32.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.589 1.156 . . . . 0.0 113.919 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.4 t30 56.49 48.32 16.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.939 1.695 . . . . 0.0 112.56 172.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -150.89 153.59 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 125.325 1.45 . . . . 0.0 110.664 -171.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -105.93 136.27 45.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.259 1.823 . . . . 0.0 111.174 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.6 m -51.55 -36.51 45.4 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.255 1.422 . . . . 0.0 113.91 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -72.23 -29.98 64.47 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -14.44 62.46 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.736 -1.228 . . . . 0.0 112.162 171.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.45 -14.59 58.16 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.028 0.831 . . . . 0.0 112.446 172.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.1 mt -94.62 6.76 47.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.526 1.53 . . . . 0.0 113.04 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -79.97 -179.61 7.08 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.466 1.507 . . . . 0.0 111.991 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -91.67 9.16 33.55 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.358 1.463 . . . . 0.0 113.819 -170.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -132.92 126.36 31.94 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.031 1.732 . . . . 0.0 108.031 168.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.9 pt -67.79 -14.14 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.491 1.116 . . . . 0.0 113.179 -174.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.5 t -53.08 -37.55 61.77 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.624 1.569 . . . . 0.0 114.265 -169.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -61.7 -32.51 72.72 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.385 -0.822 . . . . 0.0 112.196 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.59 -39.04 15.43 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.826 1.25 . . . . 0.0 111.729 174.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.65 -39.77 80.54 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.452 1.101 . . . . 0.0 113.4 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -69.65 -33.27 72.38 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.912 -1.117 . . . . 0.0 112.322 173.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.425 ' SG ' HD13 ' A' ' 56' ' ' ILE . 37.7 t -68.68 -35.32 77.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.263 1.025 . . . . 0.0 111.485 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.97 91.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.128 0.971 . . . . 0.0 112.394 171.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.405 ' HD3' ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -61.16 -42.31 98.32 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.955 1.252 . . . . 0.0 112.549 170.718 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.81 -24.96 67.02 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.019 0.928 . . . . 0.0 112.997 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 84.9 mt -77.12 -46.44 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.964 0.906 . . . . 0.0 110.462 168.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.82 -25.82 56.75 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.519 1.528 . . . . 0.0 113.918 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -55.41 -27.18 46.08 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.411 1.484 . . . . 0.0 114.416 169.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -115.59 -34.89 4.72 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.544 1.538 . . . . 0.0 112.307 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -143.62 88.26 1.98 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.573 1.549 . . . . 0.0 110.751 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -54.35 -38.55 66.2 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -170.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -142.21 -10.32 0.86 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.248 1.419 . . . . 0.0 113.328 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -76.18 -12.61 60.13 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -171.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.88 -5.21 39.71 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.139 0.976 . . . . 0.0 113.631 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -125.93 143.99 50.86 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.679 1.592 . . . . 0.0 111.77 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -86.87 -37.32 17.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -169.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.02 -34.2 88.16 Favored Glycine 0 N--CA 1.471 0.978 0 C-N-CA 123.695 0.664 . . . . 0.0 113.328 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -61.7 -41.27 97.38 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -94.93 -17.57 21.87 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.34 -20.96 19.29 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -138.94 -44.2 0.47 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 m -70.78 -7.0 41.88 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -172.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -72.69 -22.88 60.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.029 0.932 . . . . 0.0 112.958 173.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.7 -35.26 25.8 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 118.724 0.693 . . . . 0.0 113.551 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -173.19 145.73 1.36 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 127.36 2.264 . . . . 0.0 110.369 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.7 mt -111.04 148.86 39.54 Favored Pre-proline 0 CA--C 1.543 0.709 0 C-N-CA 124.979 1.311 . . . . 0.0 111.163 172.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -70.64 153.43 64.89 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 123.773 2.982 . . . . 0.0 111.04 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -77.57 148.09 35.36 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 122.275 1.036 . . . . 0.0 111.647 170.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.9 pt -129.94 -0.09 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.997 2.119 . . . . 0.0 112.636 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.8 m -62.96 -17.02 61.47 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -173.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 m -83.46 -6.32 59.42 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.051 1.341 . . . . 0.0 113.849 173.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.858 1.663 . . . . 0.0 112.061 -175.28 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.171 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -155.92 162.37 40.4 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.613 1.565 . . . . 0.0 112.718 -171.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -109.45 136.59 48.61 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.11 1.364 . . . . 0.0 110.334 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -104.42 155.05 19.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.089 1.755 . . . . 0.0 110.709 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.0 t -93.88 162.43 13.91 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.866 1.266 . . . . 0.0 108.683 168.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.3 -47.73 78.07 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.456 1.025 . . . . 0.0 111.787 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.4 m -59.86 -38.87 83.37 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.64 -0.662 . . . . 0.0 112.768 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.83 -45.54 73.86 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 124.057 0.836 . . . . 0.0 111.691 176.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.01 -50.03 73.69 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.054 1.341 . . . . 0.0 111.797 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.24 -45.3 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.744 0.818 . . . . 0.0 110.606 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -68.79 -43.68 75.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.985 0.914 . . . . 0.0 113.46 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.36 -38.14 88.38 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.05 1.34 . . . . 0.0 111.274 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.49 -41.08 48.31 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.008 0.923 . . . . 0.0 112.284 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -55.9 -40.58 73.24 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 118.451 0.569 . . . . 0.0 111.492 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -66.37 -41.65 89.13 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.516 1.926 . . . . 0.0 112.254 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -82.26 -5.18 58.36 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.33 39.83 2.73 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 124.751 1.167 . . . . 0.0 114.459 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -105.04 138.48 41.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.374 1.47 . . . . 0.0 109.332 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.38 141.57 38.27 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.201 0.6 . . . . 0.0 112.082 -172.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -38.83 63.0 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.817 1.247 . . . . 0.0 113.925 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.39 -14.81 60.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.1 mt -100.99 -20.33 15.46 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.02 1.328 . . . . 0.0 112.079 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.5 tpp -49.78 -44.97 49.24 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.04 1.736 . . . . 0.0 113.011 -174.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -55.18 -48.57 73.61 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.021 0.929 . . . . 0.0 112.428 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -65.06 -44.13 89.98 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.556 0.742 . . . . 0.0 111.481 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -62.71 -48.94 77.05 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.256 0.622 . . . . 0.0 112.494 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 m -67.81 -35.07 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 119.221 0.919 . . . . 0.0 111.924 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -71.79 -32.18 67.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.715 0.689 . . . . 0.0 112.664 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.91 -54.34 27.77 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.091 1.756 . . . . 0.0 109.927 169.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.03 -40.48 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.026 0.93 . . . . 0.0 111.891 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.93 -31.74 72.08 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -85.6 -29.31 24.2 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -81.62 -59.12 2.72 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.945 0.898 . . . . 0.0 111.624 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -113.21 -10.24 13.39 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -174.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m 67.55 23.64 8.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.429 1.492 . . . . 0.0 112.816 -169.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 mtm-85 70.38 29.17 3.6 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.251 1.42 . . . . 0.0 112.192 -175.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -121.77 117.52 26.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.09 1.356 . . . . 0.0 111.391 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.5 p -67.75 -27.14 66.53 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 122.247 -0.283 . . . . 0.0 111.637 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 m -74.86 -5.47 43.8 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -74.71 145.22 43.27 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.897 -1.127 . . . . 0.0 112.851 -174.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.0 p -145.3 156.66 43.94 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.097 1.759 . . . . 0.0 111.823 175.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -147.5 131.69 17.4 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.022 1.329 . . . . 0.0 111.373 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.3 m -89.91 144.21 26.13 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.95 1.3 . . . . 0.0 110.132 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -106.46 158.36 16.96 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.14 1.376 . . . . 0.0 111.576 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -61.6 -24.02 66.4 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.383 1.073 . . . . 0.0 113.259 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -69.5 -18.75 63.72 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.742 1.617 . . . . 0.0 114.091 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.31 -4.16 70.01 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.336 1.446 . . . . 0.0 114.247 -175.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.2 p -82.9 159.2 22.38 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.927 1.291 . . . . 0.0 111.176 169.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -127.37 153.03 46.73 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.618 1.167 . . . . 0.0 111.18 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -103.55 143.33 32.88 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.596 1.958 . . . . 0.0 110.011 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -140.9 147.23 38.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.638 1.175 . . . . 0.0 113.422 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.26 -175.82 53.82 Favored Glycine 0 N--CA 1.467 0.727 0 CA-C-O 121.92 0.734 . . . . 0.0 114.292 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -21.59 66.8 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -168.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -107.85 9.06 28.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.584 1.153 . . . . 0.0 111.771 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 50.14 57.89 6.07 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.839 1.656 . . . . 0.0 111.574 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.6 mt -84.13 134.2 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.222 1.409 . . . . 0.0 109.457 -172.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -93.98 139.61 30.72 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -170.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.53 -9.63 27.87 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 116.491 2.034 . . . . 0.0 116.491 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -89.11 -15.79 33.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.959 1.304 . . . . 0.0 113.666 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -135.36 -47.78 0.7 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -167.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -117.71 -41.39 2.93 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -167.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -111.63 165.19 12.24 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.614 1.166 . . . . 0.0 112.052 168.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -118.36 136.98 53.42 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.752 1.221 . . . . 0.0 112.372 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -85.83 -11.32 53.7 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.82 -170.49 29.29 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.01 0.815 . . . . 0.0 112.371 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.39 4.26 18.58 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 -177.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -148.75 143.56 17.33 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.579 1.552 . . . . 0.0 110.562 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.16 159.93 51.0 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.546 2.831 . . . . 0.0 111.603 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.05 72.65 0.03 OUTLIER Glycine 0 N--CA 1.472 1.087 0 O-C-N 121.888 -0.507 . . . . 0.0 114.283 -175.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -154.49 -176.78 6.06 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.356 2.263 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.96 -27.16 60.99 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.625 1.57 . . . . 0.0 114.075 175.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 55.8 m -105.67 0.26 26.19 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.653 1.181 . . . . 0.0 114.039 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 55.94 50.38 14.02 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.609 1.563 . . . . 0.0 112.898 170.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.2 p -149.6 151.34 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.717 1.207 . . . . 0.0 111.469 -171.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -104.26 135.83 44.98 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.537 1.935 . . . . 0.0 111.147 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.3 m -51.87 -37.46 52.25 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.524 1.529 . . . . 0.0 113.813 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -73.69 -28.31 61.68 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -10.86 60.38 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.807 -1.183 . . . . 0.0 112.478 171.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.8 mt -84.18 -14.6 49.69 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.678 0.672 . . . . 0.0 112.272 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 mt -93.81 8.09 42.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.588 1.555 . . . . 0.0 112.903 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.4 t -84.08 -175.48 5.82 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.677 1.591 . . . . 0.0 112.181 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -93.83 11.48 29.19 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.681 1.592 . . . . 0.0 113.921 -169.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -139.13 127.05 22.21 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.061 1.744 . . . . 0.0 108.431 168.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.7 pt -71.11 -12.82 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.5 1.12 . . . . 0.0 113.174 -173.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.1 t -56.92 -33.93 67.45 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -169.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -32.85 73.49 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.125 -0.985 . . . . 0.0 112.044 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.26 -39.94 16.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.342 1.057 . . . . 0.0 111.618 174.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.45 -41.6 84.46 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.855 0.862 . . . . 0.0 113.266 -176.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -68.04 -32.92 73.61 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.721 -1.237 . . . . 0.0 112.411 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.0 t -67.97 -37.48 81.59 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.816 0.846 . . . . 0.0 111.222 171.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.74 91.95 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.162 0.985 . . . . 0.0 112.583 171.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.19 -42.27 98.28 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 120.359 1.436 . . . . 0.0 112.328 170.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -66.02 -22.26 66.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.8 mt -80.85 -45.53 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.044 0.937 . . . . 0.0 110.753 168.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -28.15 55.96 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.216 1.406 . . . . 0.0 113.598 177.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.77 -20.5 35.63 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.055 1.742 . . . . 0.0 114.801 169.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -116.01 -38.39 3.65 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.831 1.653 . . . . 0.0 112.082 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -145.3 95.87 2.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.608 1.563 . . . . 0.0 110.809 -176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -54.33 -39.18 66.81 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -170.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -142.56 -17.14 0.71 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.146 1.378 . . . . 0.0 113.457 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -72.26 -14.32 61.74 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -172.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.27 -9.37 55.76 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.271 1.028 . . . . 0.0 113.592 172.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 -121.05 124.57 45.14 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.391 1.476 . . . . 0.0 111.749 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -71.05 -32.15 68.78 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -173.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.48 -37.44 94.45 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 123.78 0.705 . . . . 0.0 112.716 -178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -64.2 -44.79 90.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 117.767 0.783 . . . . 0.0 112.613 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -78.07 -10.19 59.5 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -90.25 -34.66 15.68 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.948 1.299 . . . . 0.0 113.602 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.16 -24.49 0.99 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -170.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 84.1 m -76.49 -7.02 54.27 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 120.051 1.296 . . . . 0.0 113.844 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -77.67 -21.56 51.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.35 1.06 . . . . 0.0 112.836 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -88.33 -39.28 6.87 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 124.026 0.822 . . . . 0.0 113.62 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.6 t -170.32 153.9 4.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.656 1.582 . . . . 0.0 111.264 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.5 mt -121.26 150.14 53.38 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.798 1.639 . . . . 0.0 111.766 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -71.41 156.72 58.04 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.853 3.036 . . . . 0.0 111.214 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -78.31 152.05 32.64 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 122.217 1.008 . . . . 0.0 112.175 173.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.8 pt -131.56 -3.36 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 127.001 2.12 . . . . 0.0 113.056 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.0 t -67.6 -18.81 65.12 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.101 -0.999 . . . . 0.0 112.737 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.8 p -80.56 -10.69 59.73 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.772 1.629 . . . . 0.0 114.219 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.696 1.598 . . . . 0.0 112.119 -176.353 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 N-CA-C 112.231 -0.347 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -159.2 165.57 33.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.518 1.927 . . . . 0.0 112.412 -175.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 m -110.82 131.46 55.03 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.638 1.175 . . . . 0.0 110.485 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -96.39 156.85 16.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.094 1.757 . . . . 0.0 110.744 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -95.68 160.8 14.31 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.836 1.255 . . . . 0.0 108.491 168.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.01 -45.92 78.93 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.476 1.035 . . . . 0.0 111.73 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.6 m -61.34 -33.68 74.02 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.91 -46.38 29.46 Favored Glycine 0 C--N 1.339 0.742 0 C-N-CA 124.279 0.942 . . . . 0.0 111.435 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.02 -48.83 78.52 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.131 1.373 . . . . 0.0 112.068 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.9 t -50.52 -45.34 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.008 0.822 . . . . 0.0 110.525 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -69.84 -41.52 74.79 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.123 0.969 . . . . 0.0 113.311 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.01 -41.45 99.56 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.384 1.074 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.81 -37.93 67.35 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.026 0.93 . . . . 0.0 112.224 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -58.54 -40.97 84.45 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.922 0.489 . . . . 0.0 111.91 172.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.57 -33.82 75.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.671 0.788 . . . . 0.0 112.565 172.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -88.97 5.53 43.77 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.962 1.305 . . . . 0.0 114.509 -175.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.36 23.55 21.51 Favored Glycine 0 N--CA 1.473 1.135 0 C-N-CA 124.63 1.11 . . . . 0.0 115.377 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.443 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 6.8 m-85 -88.08 140.85 29.07 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.536 1.168 . . . . 0.0 109.954 174.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -77.97 138.02 38.62 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.493 0.717 . . . . 0.0 111.967 -174.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.59 -26.06 67.73 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 114.15 1.166 . . . . 0.0 114.15 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -83.13 -17.48 42.86 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.4 mt -96.21 -19.38 19.37 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.537 1.135 . . . . 0.0 112.249 173.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.7 tpp -46.55 -45.02 18.41 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.497 1.919 . . . . 0.0 113.3 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -55.77 -48.34 75.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.479 1.112 . . . . 0.0 112.94 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -64.1 -43.09 96.41 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.173 0.589 . . . . 0.0 111.41 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -64.1 -49.51 71.97 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.298 0.639 . . . . 0.0 112.687 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 m -66.67 -33.91 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 119.062 0.846 . . . . 0.0 111.701 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -73.28 -33.36 65.19 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.789 0.722 . . . . 0.0 112.706 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.99 -53.77 44.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.769 1.628 . . . . 0.0 109.888 169.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.5 t -60.17 -40.65 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.034 0.934 . . . . 0.0 111.758 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -62.88 -26.71 68.91 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -86.2 -35.55 20.0 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -78.37 -48.43 15.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.325 0.65 . . . . 0.0 111.867 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -121.65 -12.72 8.46 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m 62.38 32.41 16.88 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.688 0.795 . . . . 0.0 111.612 -167.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 72.9 27.84 2.08 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.052 1.741 . . . . 0.0 112.749 176.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -118.41 115.57 24.93 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.553 1.541 . . . . 0.0 111.838 -175.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.3 p -68.01 -25.06 65.21 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.6 m -75.37 -4.86 41.83 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.4 1.0 . . . . 0.0 113.694 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -77.05 144.57 38.5 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.075 -1.016 . . . . 0.0 113.383 -171.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.1 p -145.05 158.16 43.9 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.688 1.995 . . . . 0.0 111.903 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -152.61 133.09 13.76 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.269 1.428 . . . . 0.0 111.441 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 m -89.58 148.06 23.58 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.117 1.367 . . . . 0.0 110.668 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -110.6 158.74 18.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.646 1.579 . . . . 0.0 112.019 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.57 -23.57 67.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.61 1.164 . . . . 0.0 113.565 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -80.74 -4.36 54.18 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.172 1.389 . . . . 0.0 114.16 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.22 -2.35 83.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.235 1.397 . . . . 0.0 114.714 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.5 p -82.48 165.14 20.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.798 1.239 . . . . 0.0 111.662 170.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -132.69 150.82 52.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.632 1.173 . . . . 0.0 110.937 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -103.23 141.53 35.73 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.727 2.011 . . . . 0.0 109.465 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -137.43 151.16 48.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.386 1.075 . . . . 0.0 113.617 -169.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.49 -152.41 29.12 Favored Glycine 0 N--CA 1.463 0.47 0 C-N-CA 123.749 0.69 . . . . 0.0 114.075 169.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -88.36 -21.76 24.18 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -112.8 10.51 19.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.802 1.641 . . . . 0.0 111.378 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 54.66 52.9 11.4 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.212 1.805 . . . . 0.0 110.927 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.5 mt -81.84 133.09 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.505 1.122 . . . . 0.0 109.109 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.67 137.26 34.0 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -169.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.65 -10.85 21.04 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 116.466 2.025 . . . . 0.0 116.466 -176.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -90.41 -15.81 30.26 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.892 1.277 . . . . 0.0 113.345 -177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -131.15 -52.95 1.04 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -167.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -110.28 -52.51 2.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.512 0.725 . . . . 0.0 112.086 -167.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.83 172.86 7.17 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.384 1.474 . . . . 0.0 111.743 169.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.51 140.77 51.64 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.219 1.008 . . . . 0.0 112.617 176.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -88.91 -11.22 45.14 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -176.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.93 -175.41 32.13 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.26 0.934 . . . . 0.0 112.315 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.1 -1.81 6.67 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -172.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -156.04 145.43 15.23 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 126.284 1.834 . . . . 0.0 109.966 -169.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.95 150.19 88.45 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.225 2.617 . . . . 0.0 110.823 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.64 32.59 0.03 OUTLIER Glycine 0 N--CA 1.475 1.259 0 N-CA-C 118.571 2.188 . . . . 0.0 118.571 -171.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -124.6 -164.36 1.26 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 118.794 1.297 . . . . 0.0 111.716 169.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.72 -31.99 65.06 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -168.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 82.1 m -100.3 4.52 44.15 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 56.98 47.39 17.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.689 1.596 . . . . 0.0 112.143 169.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.3 p -147.0 152.12 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.698 1.599 . . . . 0.0 110.06 -171.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -105.18 136.56 44.47 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.572 1.549 . . . . 0.0 110.134 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.7 m -50.64 -35.21 29.45 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.95 1.3 . . . . 0.0 113.701 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -71.93 -31.65 66.56 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.48 -12.33 61.56 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 120.617 -1.302 . . . . 0.0 112.516 172.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.37 -14.14 55.72 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.473 -0.767 . . . . 0.0 112.248 172.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 mt -96.56 9.56 41.09 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.617 1.567 . . . . 0.0 113.319 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.3 t -89.14 -175.68 4.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.621 1.568 . . . . 0.0 112.335 -173.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -86.16 -4.22 59.12 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -172.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -122.4 124.04 42.74 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.377 1.471 . . . . 0.0 109.484 169.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.0 pt -67.36 -14.69 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 125.046 1.339 . . . . 0.0 113.348 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -51.79 -37.63 52.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.16 1.784 . . . . 0.0 114.871 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -64.84 -29.82 70.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.545 -0.722 . . . . 0.0 112.747 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.16 -40.73 14.34 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.538 1.135 . . . . 0.0 111.489 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.9 89.35 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.52 1.128 . . . . 0.0 113.053 -175.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.29 -33.25 71.33 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.105 -0.997 . . . . 0.0 112.693 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 33.8 t -66.57 -38.51 87.21 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.832 0.853 . . . . 0.0 111.068 171.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.93 85.16 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.333 1.053 . . . . 0.0 112.554 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.443 ' HD3' ' CE1' ' A' ' 18' ' ' PHE . 20.2 mmmt -62.29 -41.75 98.76 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.194 1.361 . . . . 0.0 112.48 171.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -66.51 -25.21 66.58 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.8 mt -74.94 -46.14 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 121.354 -0.841 . . . . 0.0 110.514 168.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -27.25 61.57 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.906 1.282 . . . . 0.0 114.098 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -55.67 -28.91 58.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.18 1.392 . . . . 0.0 114.36 169.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -109.6 -36.41 5.96 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.603 1.561 . . . . 0.0 111.939 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -145.5 88.66 1.87 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.785 1.634 . . . . 0.0 110.649 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -53.46 -40.47 65.29 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -169.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -140.01 -9.85 1.16 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.203 1.401 . . . . 0.0 113.106 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.62 -16.11 60.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.761 1.224 . . . . 0.0 114.176 -170.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.76 -8.39 55.18 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.488 1.115 . . . . 0.0 113.584 173.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 25.6 m-90 -118.3 140.73 49.38 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.589 1.556 . . . . 0.0 112.245 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -89.56 -30.66 18.05 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.029 0.932 . . . . 0.0 113.202 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.44 -35.22 81.33 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.747 0.689 . . . . 0.0 112.901 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -63.86 -42.93 97.44 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.996 -0.708 . . . . 0.0 112.7 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -77.45 -10.15 59.3 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.113 -0.992 . . . . 0.0 113.662 173.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -85.33 -36.0 21.08 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.358 1.063 . . . . 0.0 113.421 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.21 -14.18 0.7 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 118.181 2.66 . . . . 0.0 118.181 -174.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 74.5 m -78.94 -5.82 54.68 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.436 1.471 . . . . 0.0 113.746 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -80.98 -24.05 38.31 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.354 1.062 . . . . 0.0 112.93 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.23 -37.64 6.61 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.068 0.842 . . . . 0.0 113.607 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.1 t -170.03 155.85 5.76 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.748 1.619 . . . . 0.0 111.122 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -121.27 151.27 55.65 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.774 1.63 . . . . 0.0 111.735 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.62 153.65 69.31 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.84 3.027 . . . . 0.0 111.582 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -77.56 142.16 39.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.932 0.893 . . . . 0.0 111.577 170.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.6 pt -131.78 -1.1 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.414 1.886 . . . . 0.0 113.0 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.2 p -67.57 -10.23 50.0 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -175.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.5 p -84.88 -11.52 55.44 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.904 1.682 . . . . 0.0 114.038 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.9 m . . . . . 0 C--O 1.251 1.145 0 C-N-CA 125.83 1.652 . . . . 0.0 112.193 -177.088 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 CA-C-O 121.681 0.6 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -157.27 164.79 37.29 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 128.137 2.575 . . . . 0.0 112.379 -174.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m -101.78 138.57 38.58 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.362 1.465 . . . . 0.0 110.644 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -103.0 154.53 19.15 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.467 1.907 . . . . 0.0 110.334 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.9 t -95.52 159.64 14.9 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.133 1.373 . . . . 0.0 108.965 169.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.48 -49.04 75.83 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.247 0.93 . . . . 0.0 112.093 -172.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 p -63.78 -31.44 72.62 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.49 -45.73 58.64 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.19 0.9 . . . . 0.0 111.445 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.24 -49.95 73.7 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.188 1.395 . . . . 0.0 111.705 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.21 -46.71 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.128 0.971 . . . . 0.0 110.545 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -68.67 -42.95 77.17 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.48 -40.84 98.17 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.116 0.967 . . . . 0.0 111.255 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -71.89 -39.36 69.64 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.712 0.805 . . . . 0.0 112.032 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -57.33 -40.79 78.7 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.294 0.497 . . . . 0.0 111.808 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -67.65 -35.75 79.47 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.053 0.941 . . . . 0.0 112.531 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -87.75 5.24 40.92 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.196 1.398 . . . . 0.0 114.482 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.62 32.36 8.17 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.612 1.101 . . . . 0.0 114.829 169.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -97.66 131.84 43.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.832 1.253 . . . . 0.0 109.478 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.44 137.82 57.71 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.886 0.874 . . . . 0.0 113.066 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.64 -29.42 70.61 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -75.49 -15.34 60.42 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 175.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.8 mt -104.33 -13.63 16.06 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.4 1.48 . . . . 0.0 112.771 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.9 tpp -52.94 -43.12 66.05 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.216 1.406 . . . . 0.0 112.957 -173.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -55.97 -48.15 76.35 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.264 1.026 . . . . 0.0 112.469 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -61.36 -47.5 85.59 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.564 0.746 . . . . 0.0 110.604 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.9 m95 -63.1 -50.32 71.0 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.739 0.816 . . . . 0.0 112.5 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.61 -35.44 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 119.375 0.989 . . . . 0.0 111.906 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.39 -37.0 74.45 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.839 0.745 . . . . 0.0 112.206 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.65 -51.86 63.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.354 1.462 . . . . 0.0 110.616 171.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.9 t -57.94 -39.03 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.484 -0.76 . . . . 0.0 111.788 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.5 -26.87 66.57 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -34.16 38.34 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.927 1.24 . . . . 0.0 112.029 173.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.02 -60.77 2.11 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.926 0.891 . . . . 0.0 111.881 -173.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.8 p -112.11 -7.55 14.07 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.213 -0.93 . . . . 0.0 113.11 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 m 62.05 24.11 14.31 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.66 1.184 . . . . 0.0 112.411 -169.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.1 mtm-85 73.27 28.72 1.78 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.032 1.733 . . . . 0.0 112.578 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -117.29 115.55 25.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.915 1.286 . . . . 0.0 112.157 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.9 p -66.09 -25.4 67.0 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -79.48 -6.98 58.09 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -73.15 140.66 47.21 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.82 -1.175 . . . . 0.0 112.901 -172.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.8 p -137.55 158.66 43.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.975 1.71 . . . . 0.0 111.584 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -149.48 131.83 15.6 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.979 1.311 . . . . 0.0 111.46 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.1 m -87.67 147.31 25.31 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.878 1.271 . . . . 0.0 110.146 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -110.31 157.72 19.19 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.583 1.553 . . . . 0.0 111.791 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -62.6 -23.87 67.27 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.481 1.112 . . . . 0.0 113.355 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -77.89 -7.49 56.79 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.492 1.517 . . . . 0.0 113.788 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.42 1.16 72.09 Favored Glycine 0 N--CA 1.475 1.277 0 C-N-CA 125.356 1.455 . . . . 0.0 114.9 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.8 p -87.26 165.35 15.73 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.374 1.47 . . . . 0.0 111.891 171.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -129.75 151.71 50.03 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.482 1.113 . . . . 0.0 111.287 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -102.86 145.36 29.91 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.496 1.919 . . . . 0.0 110.312 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -142.08 148.2 38.02 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.982 1.313 . . . . 0.0 113.276 -171.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.46 -177.51 48.98 Favored Glycine 0 N--CA 1.468 0.809 0 C-N-CA 123.816 0.722 . . . . 0.0 114.199 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.99 -23.7 67.43 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -168.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -104.33 7.22 35.68 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.469 1.108 . . . . 0.0 111.971 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 51.85 58.57 5.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.066 1.746 . . . . 0.0 111.384 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.7 mt -83.04 134.93 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 125.524 1.53 . . . . 0.0 109.336 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -96.91 140.24 31.76 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.35 -8.36 18.05 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -113.05 1.07 15.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.199 1.8 . . . . 0.0 112.65 -176.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -129.39 -41.96 1.35 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -172.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -144.56 -36.64 0.32 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -168.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -108.36 168.25 9.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.287 1.035 . . . . 0.0 112.15 168.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.35 138.6 53.64 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.804 1.241 . . . . 0.0 112.552 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -84.43 -15.2 47.02 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.34 -166.65 29.74 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.111 0.862 . . . . 0.0 112.989 -172.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.38 7.09 8.56 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -156.48 145.0 14.58 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.83 1.652 . . . . 0.0 110.363 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.71 160.43 48.21 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.589 2.859 . . . . 0.0 111.634 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.72 70.89 0.03 OUTLIER Glycine 0 N--CA 1.471 0.975 0 O-C-N 121.948 -0.47 . . . . 0.0 114.049 -174.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -151.48 -178.34 6.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 127.593 2.357 . . . . 0.0 110.0 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -59.9 -31.81 70.16 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.841 0.856 . . . . 0.0 112.971 174.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.3 m -93.84 -1.58 54.67 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 52.87 52.2 14.4 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.996 1.719 . . . . 0.0 112.685 170.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.49 146.48 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.624 1.17 . . . . 0.0 111.119 -171.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -101.35 135.0 43.56 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.11 1.764 . . . . 0.0 110.696 -174.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.8 m -48.82 -38.62 22.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.432 1.493 . . . . 0.0 114.348 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -77.16 -24.42 51.51 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.457 -0.777 . . . . 0.0 112.813 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.6 -11.15 60.53 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.722 -1.236 . . . . 0.0 112.211 170.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.4 mt -82.4 -9.82 59.3 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.099 -1.001 . . . . 0.0 112.587 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.0 mt -97.22 8.78 43.85 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.608 1.563 . . . . 0.0 112.62 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.5 p -69.13 162.8 26.23 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.125 1.77 . . . . 0.0 112.365 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -77.01 -1.68 30.06 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -120.89 127.79 52.2 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.235 1.814 . . . . 0.0 107.632 167.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.3 pt -68.8 -12.58 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 125.27 1.428 . . . . 0.0 113.446 -174.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.7 t -51.8 -39.37 58.57 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.982 1.713 . . . . 0.0 114.797 -169.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -64.2 -29.81 70.9 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.275 -0.891 . . . . 0.0 112.839 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.3 -41.97 15.05 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.389 1.075 . . . . 0.0 111.491 172.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.46 98.78 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.368 1.067 . . . . 0.0 113.106 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.37 -35.56 81.34 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.066 -1.022 . . . . 0.0 112.613 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 43.3 t -68.72 -39.98 80.17 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.489 0.715 . . . . 0.0 111.183 171.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.3 -37.12 76.9 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.056 0.942 . . . . 0.0 113.001 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -61.77 -44.02 97.7 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.143 1.338 . . . . 0.0 112.588 170.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -68.38 -24.97 64.84 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.314 -0.866 . . . . 0.0 112.836 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 96.2 mt -71.77 -48.11 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.416 -0.802 . . . . 0.0 110.231 168.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.5 -30.72 63.33 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.64 1.176 . . . . 0.0 113.371 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -57.51 -19.25 23.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.936 2.094 . . . . 0.0 115.502 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -115.86 -37.79 3.82 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.852 1.661 . . . . 0.0 111.872 174.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -145.6 91.86 2.16 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.189 1.796 . . . . 0.0 110.372 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -51.41 -41.73 60.96 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -170.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -142.03 -11.21 0.87 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.216 1.406 . . . . 0.0 113.242 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.83 -13.34 61.27 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.845 1.258 . . . . 0.0 113.915 -172.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.46 -7.21 41.6 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.439 1.096 . . . . 0.0 113.668 172.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.6 m-90 -128.71 123.01 31.97 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.438 1.495 . . . . 0.0 111.37 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -74.25 -35.24 63.81 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -167.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.86 -25.5 74.18 Favored Glycine 0 N--CA 1.473 1.111 0 O-C-N 121.483 -0.76 . . . . 0.0 113.476 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -67.43 -44.97 77.43 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.437 1.119 . . . . 0.0 111.194 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -80.91 -15.81 55.29 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -98.37 -32.79 11.33 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -127.31 -33.31 2.38 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.1 m -84.26 0.95 46.99 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -76.43 -32.41 58.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.854 0.861 . . . . 0.0 112.792 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.5 -30.35 19.12 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 123.739 0.685 . . . . 0.0 114.032 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.8 m -153.56 132.45 12.43 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.278 1.431 . . . . 0.0 111.206 -174.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.2 mt -121.06 150.57 53.69 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.778 1.631 . . . . 0.0 110.778 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -71.85 153.96 58.59 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.608 2.872 . . . . 0.0 111.271 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -77.41 142.1 39.43 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.896 0.879 . . . . 0.0 111.403 170.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 44.8 pt -129.86 -1.71 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.33 1.852 . . . . 0.0 113.07 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.3 p -68.16 -10.65 55.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 p -86.33 -10.66 54.0 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.964 1.706 . . . . 0.0 114.083 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.251 1.14 0 C-N-CA 126.017 1.727 . . . . 0.0 112.142 -176.302 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.051 0 N-CA-C 111.996 -0.441 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -155.23 164.21 39.11 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.745 1.618 . . . . 0.0 112.62 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -107.36 132.7 52.86 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.727 1.211 . . . . 0.0 110.696 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -97.79 157.45 16.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.17 1.788 . . . . 0.0 110.748 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.7 t -96.87 159.87 14.67 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.011 1.324 . . . . 0.0 108.652 168.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -55.8 -45.9 78.14 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.502 1.046 . . . . 0.0 112.014 -175.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m -61.34 -35.09 76.45 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.31 42.48 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 124.162 0.887 . . . . 0.0 111.579 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.69 -49.02 76.76 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.105 1.362 . . . . 0.0 112.067 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.9 t -49.98 -45.86 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.764 0.826 . . . . 0.0 110.444 173.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -69.24 -41.31 77.14 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.885 0.874 . . . . 0.0 113.228 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.39 -42.22 98.8 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.279 1.032 . . . . 0.0 111.148 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.3 mt -72.07 -37.79 69.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.867 0.867 . . . . 0.0 111.965 176.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.61 -41.24 85.41 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.805 -0.559 . . . . 0.0 112.005 172.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -67.89 -35.01 77.76 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.617 0.767 . . . . 0.0 112.578 172.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -86.8 2.93 47.21 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.41 34.98 7.16 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 124.436 1.017 . . . . 0.0 114.415 170.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -91.13 154.59 19.25 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.229 1.012 . . . . 0.0 111.599 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -76.36 121.46 23.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.412 1.485 . . . . 0.0 110.295 -171.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.17 -27.63 69.1 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -81.45 -12.92 58.74 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.294 1.038 . . . . 0.0 113.726 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 mt -106.89 -3.37 20.34 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.575 1.15 . . . . 0.0 113.013 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.5 tpp -53.1 -41.22 64.77 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.879 1.218 . . . . 0.0 112.504 -174.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -55.71 -49.44 73.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.476 1.11 . . . . 0.0 112.345 172.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -60.49 -46.87 88.52 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.527 1.131 . . . . 0.0 110.691 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -64.7 -49.7 69.87 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.518 1.127 . . . . 0.0 112.391 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 m -66.17 -33.91 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.154 0.888 . . . . 0.0 111.874 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -70.86 -43.73 67.86 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.603 0.638 . . . . 0.0 112.05 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.14 -53.8 45.1 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.317 1.447 . . . . 0.0 110.337 169.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.3 t -61.58 -41.28 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.759 0.823 . . . . 0.0 111.927 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -62.61 -35.41 79.47 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -86.79 -19.76 28.56 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -85.39 -60.91 1.89 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.92 0.888 . . . . 0.0 111.814 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.1 p -113.31 -9.56 13.39 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -171.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m 67.07 23.05 9.77 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.367 1.467 . . . . 0.0 112.993 -169.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 72.22 26.77 2.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.668 1.587 . . . . 0.0 112.148 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -118.4 118.64 32.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.31 1.444 . . . . 0.0 111.167 -175.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.0 p -68.17 -26.08 65.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 119.151 -0.452 . . . . 0.0 112.122 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.9 m -78.74 -5.79 54.16 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -71.37 144.98 49.67 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.82 -1.175 . . . . 0.0 112.485 -175.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.6 p -142.87 159.94 41.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.592 1.557 . . . . 0.0 112.073 173.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -148.95 137.96 21.44 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.533 1.533 . . . . 0.0 111.036 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 m -94.57 142.24 27.67 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.642 1.177 . . . . 0.0 110.468 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -95.45 157.15 16.02 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.661 1.584 . . . . 0.0 111.669 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.7 mtm105 -61.7 -24.39 66.74 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.376 1.071 . . . . 0.0 113.28 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -84.85 -3.34 58.62 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.429 1.492 . . . . 0.0 114.211 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.37 -2.76 71.38 Favored Glycine 0 N--CA 1.475 1.234 0 C-N-CA 125.128 1.347 . . . . 0.0 115.265 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.1 p -81.78 168.78 17.66 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.746 1.273 . . . . 0.0 111.468 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -134.58 157.62 46.1 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.51 -1.369 . . . . 0.0 111.517 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -109.32 141.57 41.46 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 126.851 2.061 . . . . 0.0 109.597 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.7 148.66 41.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.246 1.018 . . . . 0.0 113.511 -169.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.56 -176.82 52.06 Favored Glycine 0 N--CA 1.468 0.767 0 CA-C-O 121.998 0.776 . . . . 0.0 113.908 172.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -20.7 66.55 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -168.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -107.61 8.16 29.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.662 1.185 . . . . 0.0 111.717 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 51.15 58.67 5.29 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.777 1.631 . . . . 0.0 111.258 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.402 HD13 ' SG ' ' A' ' 90' ' ' CYS . 14.5 mt -82.86 130.67 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 125.327 1.451 . . . . 0.0 109.472 -171.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.25 134.42 34.91 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.418 0.687 . . . . 0.0 111.95 -170.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.48 -9.02 15.85 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.9 ttp180 -85.13 -16.21 41.24 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.809 2.044 . . . . 0.0 113.398 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -136.9 -48.59 0.61 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -168.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -113.08 -50.02 2.89 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -167.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 p -101.19 166.18 10.91 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.235 1.414 . . . . 0.0 113.073 173.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.4 t -110.99 130.94 55.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.478 1.511 . . . . 0.0 111.982 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -81.62 -14.09 57.15 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.19 -167.34 33.37 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.178 0.894 . . . . 0.0 112.571 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.21 7.66 6.03 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.5 t -156.51 142.29 12.79 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 125.263 1.425 . . . . 0.0 110.862 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -65.51 147.49 86.81 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.377 2.718 . . . . 0.0 110.571 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.64 43.64 0.03 OUTLIER Glycine 0 N--CA 1.473 1.116 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 -171.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -132.42 -169.64 2.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.986 1.314 . . . . 0.0 110.451 168.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.3 -25.54 61.96 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -168.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.7 m -103.29 4.68 36.81 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.8 m120 58.98 43.52 17.68 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.509 1.524 . . . . 0.0 112.799 168.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.8 p -147.35 147.47 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.4 1.48 . . . . 0.0 110.458 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -97.85 134.64 40.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.281 1.432 . . . . 0.0 110.538 -176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 81.8 m -49.64 -36.57 25.06 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.412 1.485 . . . . 0.0 113.943 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.1 t -70.62 -29.2 65.51 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -71.89 -18.9 62.01 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.765 -1.209 . . . . 0.0 112.162 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.3 mt -74.74 -14.29 60.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.855 0.862 . . . . 0.0 112.464 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt -94.6 8.56 41.9 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.787 1.635 . . . . 0.0 112.819 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.1 p -76.69 177.41 7.57 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.466 1.506 . . . . 0.0 111.996 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -88.5 9.42 23.8 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.725 1.21 . . . . 0.0 113.702 -174.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -132.09 125.41 31.28 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.971 1.709 . . . . 0.0 108.322 169.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.2 pt -66.76 -14.4 17.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.769 1.228 . . . . 0.0 113.137 -174.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.8 t -53.12 -36.35 60.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.283 1.833 . . . . 0.0 114.623 -169.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -62.48 -32.88 73.85 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.61 -0.682 . . . . 0.0 112.19 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.13 -39.82 15.19 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.701 1.2 . . . . 0.0 111.53 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.4 -40.85 85.64 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.174 0.99 . . . . 0.0 113.393 -175.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -70.21 -33.38 71.63 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.036 -1.04 . . . . 0.0 112.538 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.402 ' SG ' HD13 ' A' ' 56' ' ' ILE . 30.4 t -66.3 -39.46 89.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.852 0.861 . . . . 0.0 111.129 171.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.72 83.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.52 1.128 . . . . 0.0 112.932 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -61.4 -42.94 99.53 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.27 1.395 . . . . 0.0 112.232 171.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -67.63 -22.3 65.34 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 94.2 mt -77.78 -46.86 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.443 -0.786 . . . . 0.0 110.483 168.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -28.41 62.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.696 1.198 . . . . 0.0 113.607 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -57.23 -23.31 47.15 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.84 1.656 . . . . 0.0 114.693 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -113.62 -37.53 4.57 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.919 1.688 . . . . 0.0 111.901 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -144.92 88.25 1.89 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.184 1.794 . . . . 0.0 110.53 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -53.79 -39.47 65.47 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -170.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -139.93 -14.49 1.05 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.11 1.364 . . . . 0.0 113.251 173.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.66 -14.34 62.43 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -173.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.28 -9.07 58.32 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 170.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -131.82 110.81 11.1 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.766 1.227 . . . . 0.0 113.036 -174.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -30.65 65.18 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.403 1.481 . . . . 0.0 112.488 171.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -56.81 -21.36 36.42 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.334 1.445 . . . . 0.0 112.953 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -93.45 -63.0 1.26 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 117.895 0.848 . . . . 0.0 111.102 167.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -65.2 -19.34 65.93 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -169.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -99.12 -4.03 33.2 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -135.64 -28.28 1.12 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -171.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 70.9 m -89.64 6.23 42.22 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.176 1.39 . . . . 0.0 114.054 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -74.22 -25.53 59.71 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.484 1.113 . . . . 0.0 112.855 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.16 -53.35 2.84 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 124.209 0.909 . . . . 0.0 112.615 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.7 t -169.16 170.14 8.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.854 1.662 . . . . 0.0 111.219 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 80.9 mt -120.86 154.28 57.52 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 126.368 1.867 . . . . 0.0 112.11 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -67.87 156.08 67.31 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.844 3.029 . . . . 0.0 111.551 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -81.32 152.31 27.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.431 1.093 . . . . 0.0 112.56 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.8 pt -133.33 -4.13 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.869 2.067 . . . . 0.0 113.346 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.1 m -69.62 -8.81 50.74 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.653 -1.279 . . . . 0.0 114.107 -174.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.7 p -86.22 -9.16 57.07 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.945 1.698 . . . . 0.0 113.952 170.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.034 1.733 . . . . 0.0 112.472 -173.296 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.104 0 N-CA-C 111.869 -0.492 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -156.08 165.31 36.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.876 1.671 . . . . 0.0 112.319 -170.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 m -111.76 126.29 54.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.423 1.089 . . . . 0.0 110.128 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -89.64 157.22 18.11 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.5 1.52 . . . . 0.0 110.878 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 t -95.3 161.92 13.89 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.966 1.306 . . . . 0.0 108.702 168.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -56.54 -49.48 74.67 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.314 0.961 . . . . 0.0 112.101 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -60.66 -38.22 84.16 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.657 -0.652 . . . . 0.0 112.512 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.69 -46.83 88.73 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 123.983 0.801 . . . . 0.0 111.687 174.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.58 -49.24 76.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.018 1.327 . . . . 0.0 111.931 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -49.43 -46.6 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.99 0.916 . . . . 0.0 110.422 173.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -69.08 -40.82 78.21 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.932 0.893 . . . . 0.0 113.085 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.12 -42.51 96.81 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.388 1.075 . . . . 0.0 110.889 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.96 -37.67 69.89 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.249 1.019 . . . . 0.0 112.29 176.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -57.7 -41.51 81.83 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.954 0.501 . . . . 0.0 111.888 172.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.46 -33.87 76.03 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.544 0.737 . . . . 0.0 112.606 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -87.56 4.65 42.82 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.963 1.305 . . . . 0.0 114.419 -175.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.83 21.63 27.93 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.639 1.114 . . . . 0.0 115.025 169.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 9.5 m-85 -83.91 139.87 32.33 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.447 1.123 . . . . 0.0 109.831 173.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -75.88 137.1 40.2 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.36 0.664 . . . . 0.0 111.888 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.32 -27.77 68.73 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -80.99 -15.97 54.72 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 175.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.4 mt -98.76 -13.9 19.98 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.776 1.231 . . . . 0.0 112.489 173.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -51.51 -41.82 61.27 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.282 1.433 . . . . 0.0 113.014 -173.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -55.78 -49.86 72.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.742 0.817 . . . . 0.0 112.11 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -61.82 -45.52 93.46 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.878 0.871 . . . . 0.0 110.523 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -64.47 -49.92 69.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.483 0.713 . . . . 0.0 112.737 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 m -66.68 -35.49 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.313 0.96 . . . . 0.0 111.706 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.8 -41.42 71.62 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.754 0.706 . . . . 0.0 111.833 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -55.61 -54.28 46.03 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.099 1.36 . . . . 0.0 110.006 170.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.99 -39.99 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.359 0.664 . . . . 0.0 111.866 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -64.81 -31.59 72.89 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -92.31 -15.17 27.73 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -87.66 -67.69 0.81 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.858 1.263 . . . . 0.0 111.408 173.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.3 p -107.17 -12.61 15.35 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.6 m 65.22 33.89 8.91 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.08 1.352 . . . . 0.0 112.998 -169.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.3 mtm-85 71.66 27.15 2.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.877 1.671 . . . . 0.0 112.496 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -118.45 115.11 23.96 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.426 1.49 . . . . 0.0 111.617 -173.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -71.16 -24.28 62.22 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.4 m -77.53 -2.06 33.67 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.545 1.066 . . . . 0.0 113.222 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.93 142.73 38.19 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.618 1.167 . . . . 0.0 113.016 -172.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 p -145.96 154.0 41.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.998 2.119 . . . . 0.0 111.004 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -150.82 123.87 8.76 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.455 0.702 . . . . 0.0 111.656 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.6 m -86.21 144.64 27.35 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.058 1.343 . . . . 0.0 110.142 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -118.03 159.83 22.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.558 1.543 . . . . 0.0 111.741 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -62.87 -23.41 67.3 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.438 1.095 . . . . 0.0 113.725 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -77.51 -7.85 56.89 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.26 1.424 . . . . 0.0 113.733 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.51 1.73 74.13 Favored Glycine 0 N--CA 1.475 1.236 0 C-N-CA 125.628 1.585 . . . . 0.0 114.728 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 p -88.27 163.04 16.29 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.171 1.388 . . . . 0.0 111.859 171.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -124.84 147.15 48.91 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.869 1.268 . . . . 0.0 110.95 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.61 149.21 21.7 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.828 1.651 . . . . 0.0 110.666 171.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -143.03 144.84 32.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.667 1.587 . . . . 0.0 112.836 -171.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.29 -176.31 53.5 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-O 122.196 0.886 . . . . 0.0 114.91 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.09 -27.25 69.26 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -168.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -103.09 11.03 37.66 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.097 0.959 . . . . 0.0 111.62 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 54.63 53.01 11.23 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.18 1.392 . . . . 0.0 110.58 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.6 mt -86.46 131.33 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.052 1.341 . . . . 0.0 110.003 -170.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -96.04 140.39 30.84 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -63.04 -10.17 13.08 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 -176.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -110.02 1.12 18.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.03 1.732 . . . . 0.0 112.766 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -130.19 -42.73 1.2 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -171.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -144.58 -36.76 0.31 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -168.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.0 p -109.38 168.02 9.69 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.433 1.093 . . . . 0.0 111.418 168.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.39 138.96 52.74 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.624 1.169 . . . . 0.0 112.399 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -91.54 -10.2 41.54 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.486 1.661 . . . . 0.0 115.486 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.68 -156.5 9.59 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 123.661 0.648 . . . . 0.0 113.534 -169.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.45 1.46 22.13 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -159.98 156.75 24.47 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 126.31 1.844 . . . . 0.0 111.235 -176.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -68.29 161.66 43.72 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.587 2.858 . . . . 0.0 110.74 169.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 163.52 73.95 0.03 OUTLIER Glycine 0 N--CA 1.473 1.105 0 O-C-N 121.994 -0.441 . . . . 0.0 114.121 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -153.58 -177.86 6.64 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.569 2.348 . . . . 0.0 110.363 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.39 -35.64 63.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.363 1.065 . . . . 0.0 112.808 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 63.7 m -97.24 -0.07 47.35 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 53.54 49.89 18.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.601 1.56 . . . . 0.0 113.048 169.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.4 p -147.78 143.9 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.599 1.16 . . . . 0.0 111.412 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -96.94 135.8 38.41 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.569 1.547 . . . . 0.0 111.307 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 72.6 m -48.41 -37.45 17.04 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.101 1.76 . . . . 0.0 114.308 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -70.24 -32.5 70.38 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.7 -16.27 63.31 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.763 -1.211 . . . . 0.0 112.923 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.0 mt -77.26 -13.29 59.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.057 0.943 . . . . 0.0 112.554 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.3 mt -96.24 5.75 50.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.452 1.501 . . . . 0.0 113.343 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -78.33 179.06 7.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.169 1.388 . . . . 0.0 111.823 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -85.83 16.23 4.23 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.853 1.261 . . . . 0.0 113.144 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.56 123.16 13.26 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.237 2.215 . . . . 0.0 109.715 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.3 pt -78.02 -13.34 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -169.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.46 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -62.5 -26.88 68.78 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -166.316 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -65.06 -32.28 73.92 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.016 -1.052 . . . . 0.0 112.113 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.04 -39.25 18.23 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.259 1.023 . . . . 0.0 111.281 174.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 85' ' ' THR . . . -69.3 -40.19 77.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.968 0.907 . . . . 0.0 113.095 -176.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -67.07 -35.37 79.69 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.977 -1.077 . . . . 0.0 112.428 173.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.8 t -65.1 -40.77 95.02 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.794 0.837 . . . . 0.0 110.744 172.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.11 -35.93 76.32 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.237 1.015 . . . . 0.0 112.798 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.405 ' HD3' ' CE1' ' A' ' 18' ' ' PHE . 19.9 mmmt -64.82 -43.24 93.76 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.217 1.371 . . . . 0.0 112.625 172.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -68.47 -22.79 64.54 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.321 -0.862 . . . . 0.0 112.853 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 93.6 mt -74.26 -47.3 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 121.305 -0.872 . . . . 0.0 109.913 167.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -28.88 63.4 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.675 1.19 . . . . 0.0 113.995 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -56.29 -26.11 50.75 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.294 1.438 . . . . 0.0 114.559 169.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -112.48 -32.74 6.38 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.162 1.785 . . . . 0.0 112.629 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -148.45 81.38 1.46 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.083 2.153 . . . . 0.0 110.039 -173.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -38.66 42.79 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -168.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -141.6 -1.86 1.26 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.667 1.187 . . . . 0.0 113.063 169.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.63 -18.17 57.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.225 1.81 . . . . 0.0 114.492 -168.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.91 -3.87 37.8 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.779 1.232 . . . . 0.0 113.708 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -123.85 147.91 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.018 1.727 . . . . 0.0 111.703 -176.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -89.85 -39.8 12.84 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.643 0.777 . . . . 0.0 113.049 -171.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.39 -29.81 75.67 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 124.059 0.838 . . . . 0.0 113.053 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -64.1 -43.96 93.77 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 117.879 0.839 . . . . 0.0 113.007 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -89.62 -16.5 30.38 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -98.32 -22.5 16.08 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -133.23 -45.86 0.84 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 30.2 m -70.55 -7.7 45.78 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -172.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -73.64 -22.54 59.95 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.982 0.913 . . . . 0.0 112.696 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.54 -35.74 16.07 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 123.741 0.686 . . . . 0.0 113.552 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 t -170.98 150.04 3.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.805 1.642 . . . . 0.0 111.116 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.9 mt -119.5 149.18 47.34 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 125.755 1.622 . . . . 0.0 110.96 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -74.69 166.76 28.62 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.911 3.074 . . . . 0.0 111.621 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -77.31 147.81 36.01 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.756 0.822 . . . . 0.0 112.719 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 49.7 pt -127.79 -6.05 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.515 1.526 . . . . 0.0 113.483 169.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.5 m -69.93 -21.5 63.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.012 1.278 . . . . 0.0 112.645 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.7 t -80.95 -4.52 55.27 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.442 1.097 . . . . 0.0 113.358 169.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 C--O 1.249 1.065 0 C-N-CA 125.473 1.509 . . . . 0.0 112.43 -176.258 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.046 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -154.61 164.17 39.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.078 1.751 . . . . 0.0 112.546 -172.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 m -112.99 131.57 55.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.71 1.204 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -95.6 160.61 14.42 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.712 1.605 . . . . 0.0 111.482 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -102.79 161.63 13.58 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.487 1.515 . . . . 0.0 107.857 166.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -57.54 -44.12 84.93 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.163 0.892 . . . . 0.0 111.925 -174.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.68 -26.63 68.75 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.92 -49.26 6.53 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.499 1.047 . . . . 0.0 111.197 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.47 -46.59 89.4 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.663 1.185 . . . . 0.0 112.355 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.3 t -51.7 -44.28 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.251 0.932 . . . . 0.0 110.717 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -70.99 -42.49 69.6 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.148 0.979 . . . . 0.0 112.912 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.25 -41.38 96.81 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.016 1.326 . . . . 0.0 111.134 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -75.29 -40.77 58.34 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.052 0.941 . . . . 0.0 112.252 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -54.99 -41.96 71.87 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.512 0.596 . . . . 0.0 111.589 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -68.59 -38.24 80.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.736 1.614 . . . . 0.0 112.738 174.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -83.49 0.01 48.26 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.07 40.73 3.68 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 124.716 1.151 . . . . 0.0 114.559 171.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -106.43 140.04 39.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.163 1.385 . . . . 0.0 109.624 173.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -77.18 137.61 38.97 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.256 0.623 . . . . 0.0 112.092 -172.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.4 -26.83 68.11 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -82.55 -15.16 53.32 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.1 mt -100.11 -13.05 19.15 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.937 1.295 . . . . 0.0 112.417 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.5 tpp -52.34 -43.74 64.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.372 1.469 . . . . 0.0 113.101 -173.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -55.18 -49.35 72.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.113 0.965 . . . . 0.0 112.221 174.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.04 -45.12 96.07 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.817 0.847 . . . . 0.0 110.779 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -66.11 -48.98 69.13 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.848 0.859 . . . . 0.0 112.777 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 m -66.29 -34.36 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.486 1.039 . . . . 0.0 111.747 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.6 t -70.01 -43.12 72.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.459 0.572 . . . . 0.0 111.831 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -54.42 -55.22 30.97 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.162 1.385 . . . . 0.0 110.245 169.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.4 t -61.58 -41.15 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.873 0.869 . . . . 0.0 112.391 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -63.1 -41.86 99.47 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.331 0.514 . . . . 0.0 112.164 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -81.58 -19.11 42.63 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -85.61 -56.95 3.26 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.067 0.947 . . . . 0.0 111.899 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 m -124.79 -0.95 7.94 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -169.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m 65.61 21.22 11.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.644 1.578 . . . . 0.0 113.183 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 63.9 28.47 14.57 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.98 1.712 . . . . 0.0 113.252 -171.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -110.93 118.83 37.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.162 1.385 . . . . 0.0 110.3 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.1 p -68.51 -26.57 65.51 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 119.171 -0.442 . . . . 0.0 111.99 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.9 m -77.93 -3.97 44.51 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -73.35 142.36 47.06 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.958 -1.089 . . . . 0.0 113.023 -173.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.5 p -145.21 155.4 43.23 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.14 1.776 . . . . 0.0 111.965 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -148.0 130.97 16.22 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.036 1.334 . . . . 0.0 111.319 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.9 m -87.89 144.3 26.65 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.907 1.283 . . . . 0.0 110.174 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -108.49 157.95 17.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.111 1.364 . . . . 0.0 111.533 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.77 -23.83 66.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.459 1.104 . . . . 0.0 113.311 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -68.83 -18.55 64.19 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.705 1.602 . . . . 0.0 114.136 173.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.32 -1.78 70.2 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.223 1.392 . . . . 0.0 114.267 -175.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.4 p -85.79 158.93 19.87 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.131 1.372 . . . . 0.0 111.21 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -126.37 152.46 46.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.685 1.194 . . . . 0.0 111.102 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -101.25 145.01 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 126.711 2.004 . . . . 0.0 109.946 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -143.64 150.23 38.45 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.019 1.327 . . . . 0.0 113.233 -172.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.98 -177.95 47.26 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 121.634 -0.666 . . . . 0.0 113.859 172.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.94 -13.85 60.5 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 -169.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -114.77 14.12 17.39 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.864 1.265 . . . . 0.0 111.388 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 45.23 58.94 3.78 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.275 1.83 . . . . 0.0 111.784 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.418 HD13 ' SG ' ' A' ' 90' ' ' CYS . 12.5 mt -83.74 130.3 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.937 1.295 . . . . 0.0 110.074 -171.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -91.31 138.35 31.65 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -66.61 -10.41 45.45 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -83.93 -18.59 36.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.327 1.051 . . . . 0.0 113.146 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -132.64 -58.25 0.93 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -167.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -100.73 -52.22 3.38 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.737 0.815 . . . . 0.0 112.899 -167.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -101.38 162.7 12.71 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.313 1.445 . . . . 0.0 111.744 169.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.9 t -110.27 137.33 48.15 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.868 1.667 . . . . 0.0 112.685 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -10.94 59.76 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 176.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.18 -167.9 21.85 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.07 0.843 . . . . 0.0 113.453 -171.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.72 -9.72 59.69 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.5 m -140.31 152.12 66.08 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.418 1.887 . . . . 0.0 110.779 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -68.6 154.31 71.78 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.425 2.75 . . . . 0.0 110.875 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.34 41.16 0.02 OUTLIER Glycine 0 N--CA 1.475 1.264 0 N-CA-C 116.03 1.172 . . . . 0.0 116.03 -174.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -128.54 -173.3 2.92 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.331 1.853 . . . . 0.0 110.305 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.44 -26.44 61.18 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -169.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 63.3 m -106.16 7.1 31.46 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.571 1.149 . . . . 0.0 113.906 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.25 48.84 16.44 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.867 1.667 . . . . 0.0 112.521 172.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -151.06 152.67 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.409 1.484 . . . . 0.0 110.518 -171.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -106.58 136.4 46.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.135 1.774 . . . . 0.0 110.97 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.1 m -50.93 -36.64 39.58 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.174 1.389 . . . . 0.0 114.057 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -71.53 -32.01 67.69 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -71.17 -16.06 62.51 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.809 -1.182 . . . . 0.0 112.605 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.89 -13.92 60.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.386 0.675 . . . . 0.0 112.74 173.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.9 mt -94.97 8.84 41.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.361 1.464 . . . . 0.0 112.854 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.5 p -75.92 177.84 6.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.884 1.674 . . . . 0.0 112.131 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -90.66 12.19 19.76 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.927 1.291 . . . . 0.0 113.738 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -134.84 125.7 27.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.043 1.737 . . . . 0.0 108.295 169.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 pt -67.65 -13.67 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.485 1.114 . . . . 0.0 113.163 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -53.79 -35.66 61.6 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.086 1.754 . . . . 0.0 114.277 -170.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.12 -34.13 75.77 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.599 -0.688 . . . . 0.0 112.195 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.04 -39.9 15.2 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.913 1.285 . . . . 0.0 111.587 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.92 91.79 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.365 1.066 . . . . 0.0 113.217 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.99 -33.45 74.66 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.867 -1.145 . . . . 0.0 112.497 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.418 ' SG ' HD13 ' A' ' 56' ' ' ILE . 39.0 t -68.51 -36.42 78.85 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.057 0.943 . . . . 0.0 111.409 171.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.95 89.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.155 0.982 . . . . 0.0 112.663 170.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.1 -42.15 98.93 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.223 1.374 . . . . 0.0 112.252 171.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -65.38 -23.23 66.92 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.816 0.846 . . . . 0.0 113.107 177.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.6 mt -79.02 -47.34 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.882 0.873 . . . . 0.0 110.622 168.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -26.23 58.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.997 1.319 . . . . 0.0 113.725 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -58.23 -16.28 13.24 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.275 1.83 . . . . 0.0 115.152 169.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.8 mmt-85 -128.77 -31.69 2.17 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.595 1.558 . . . . 0.0 112.938 175.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.07 84.05 1.95 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.816 1.646 . . . . 0.0 110.494 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.56 -39.98 50.86 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -169.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -143.44 -6.53 0.8 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.601 1.56 . . . . 0.0 113.106 171.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -79.99 -12.66 59.69 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -169.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.03 -5.04 36.25 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.004 0.922 . . . . 0.0 113.304 171.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -128.1 143.62 51.07 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.773 1.629 . . . . 0.0 112.329 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -90.09 -30.95 17.35 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.79 1.236 . . . . 0.0 112.616 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.85 -18.99 60.41 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 125.317 1.437 . . . . 0.0 113.579 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -79.75 -70.65 0.5 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 117.964 0.882 . . . . 0.0 110.858 168.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -63.56 -22.61 66.99 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -82.16 -7.89 59.63 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -138.72 -44.55 0.48 Allowed 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -174.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.9 m -69.52 -19.18 63.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.438 1.495 . . . . 0.0 114.333 -173.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.96 -14.88 58.26 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.936 0.894 . . . . 0.0 112.333 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.59 -50.81 2.09 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.213 1.387 . . . . 0.0 112.072 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.3 t -166.73 152.55 8.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.475 1.11 . . . . 0.0 112.354 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 79.0 mt -117.38 152.74 49.7 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.515 1.526 . . . . 0.0 112.306 175.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -70.64 153.69 64.74 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.821 3.014 . . . . 0.0 110.735 171.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -82.52 149.57 27.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.252 1.025 . . . . 0.0 111.875 171.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.4 pt -132.65 0.21 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.104 2.162 . . . . 0.0 112.802 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 m -64.73 -12.26 45.09 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -172.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.9 p -88.56 -9.62 51.67 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.963 1.705 . . . . 0.0 114.049 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 39.9 m . . . . . 0 C--O 1.251 1.148 0 C-N-CA 125.979 1.712 . . . . 0.0 112.489 -175.51 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.101 0 N-CA-C 111.829 -0.508 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -154.56 161.87 41.42 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.566 1.546 . . . . 0.0 112.626 -170.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 m -112.31 132.42 54.98 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.044 1.338 . . . . 0.0 110.116 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -99.5 156.21 17.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.76 1.624 . . . . 0.0 111.006 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 t -94.93 162.14 13.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.937 1.295 . . . . 0.0 108.596 167.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -56.39 -48.05 77.69 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.342 0.974 . . . . 0.0 111.984 -174.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -61.04 -39.01 88.16 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.554 -0.717 . . . . 0.0 112.775 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.85 -45.66 91.88 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 123.92 0.771 . . . . 0.0 111.64 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.08 -49.21 75.38 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.933 1.293 . . . . 0.0 111.94 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.6 t -49.54 -45.69 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.919 0.888 . . . . 0.0 110.545 174.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -69.78 -41.98 74.38 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.133 0.973 . . . . 0.0 113.471 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -64.93 -37.33 87.29 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.606 1.162 . . . . 0.0 111.364 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.34 -39.16 54.69 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.865 0.866 . . . . 0.0 112.136 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -56.62 -41.27 76.81 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.877 -0.514 . . . . 0.0 111.544 171.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -64.06 -36.24 83.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.572 1.549 . . . . 0.0 112.725 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -91.45 4.53 52.27 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.357 1.463 . . . . 0.0 114.857 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.81 36.56 6.37 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.409 1.004 . . . . 0.0 114.464 171.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -99.89 137.42 38.37 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.902 1.281 . . . . 0.0 109.369 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -76.62 138.69 40.26 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.387 0.675 . . . . 0.0 111.983 -172.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.26 -26.86 68.05 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -82.6 -15.88 50.53 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.9 mt -99.22 -15.46 18.89 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.871 1.268 . . . . 0.0 112.324 173.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.9 tpp -50.85 -44.02 59.37 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.54 1.536 . . . . 0.0 112.999 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -55.21 -48.61 73.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.195 0.998 . . . . 0.0 112.564 174.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.78 -46.14 90.85 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.519 0.727 . . . . 0.0 110.736 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -64.38 -48.89 73.74 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.723 0.809 . . . . 0.0 112.533 -177.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 m -67.08 -34.93 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.352 0.978 . . . . 0.0 111.802 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.03 -32.99 67.68 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.787 0.721 . . . . 0.0 112.701 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 tt -65.54 -54.39 28.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.943 1.697 . . . . 0.0 109.868 169.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 t -60.23 -40.11 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.851 0.86 . . . . 0.0 111.868 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -62.86 -28.71 70.22 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -87.15 -30.47 21.02 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.44 1.018 . . . . 0.0 113.49 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -79.89 -57.06 3.83 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.633 0.773 . . . . 0.0 111.421 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.1 p -116.16 -9.12 11.69 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -175.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m 63.67 27.97 14.91 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.854 1.261 . . . . 0.0 112.488 -168.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 70.8 29.85 3.06 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.42 1.488 . . . . 0.0 112.252 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -120.76 116.9 26.14 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.286 1.434 . . . . 0.0 111.649 -175.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -68.15 -26.97 66.04 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 122.199 -0.313 . . . . 0.0 111.629 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.5 m -74.0 -5.19 39.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -75.66 143.49 42.18 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.05 -1.031 . . . . 0.0 113.097 -172.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 p -143.19 153.49 42.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.562 1.945 . . . . 0.0 111.375 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -148.63 127.1 12.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.41 1.484 . . . . 0.0 110.624 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.9 m -96.02 138.72 33.25 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.946 1.298 . . . . 0.0 110.252 -176.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -101.82 159.34 15.42 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.382 1.473 . . . . 0.0 111.894 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -62.91 -24.38 67.82 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.394 1.078 . . . . 0.0 113.128 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -63.43 -28.24 69.84 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.919 1.688 . . . . 0.0 113.949 171.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.7 -11.08 59.31 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.446 1.498 . . . . 0.0 113.484 -169.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -71.47 160.03 33.45 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.618 1.209 . . . . 0.0 111.711 169.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -131.44 149.51 52.5 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.749 1.22 . . . . 0.0 111.064 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -101.03 142.17 32.87 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.326 1.85 . . . . 0.0 110.023 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -139.76 147.01 40.22 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.875 1.27 . . . . 0.0 113.261 -169.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.85 -176.31 53.01 Favored Glycine 0 N--CA 1.468 0.832 0 O-C-N 121.498 -0.751 . . . . 0.0 114.112 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -24.3 67.7 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -168.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -104.06 7.58 36.44 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.434 1.094 . . . . 0.0 111.927 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 50.31 59.38 4.6 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.77 1.628 . . . . 0.0 111.549 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.1 mt -85.08 134.88 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 125.231 1.412 . . . . 0.0 109.537 -173.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -96.58 138.1 34.66 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -169.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -65.36 -12.95 57.05 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -91.34 -16.14 27.95 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.606 1.162 . . . . 0.0 112.868 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -129.29 -33.58 1.91 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 116.896 2.184 . . . . 0.0 116.896 -167.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -137.5 -42.8 0.55 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -168.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.0 p -107.52 167.48 9.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.997 0.919 . . . . 0.0 111.525 168.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.37 137.76 53.52 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.649 1.18 . . . . 0.0 112.581 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 pttm -90.9 -9.24 46.96 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.728 1.751 . . . . 0.0 115.728 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.02 -166.08 20.63 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.204 0.906 . . . . 0.0 112.542 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.59 -3.56 35.02 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.7 m -145.18 152.49 50.94 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 125.989 1.716 . . . . 0.0 110.987 -174.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -69.34 161.18 46.91 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.369 2.712 . . . . 0.0 110.69 170.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.13 72.36 0.03 OUTLIER Glycine 0 N--CA 1.472 1.077 0 O-C-N 121.968 -0.457 . . . . 0.0 113.902 -176.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -153.18 -178.75 7.15 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.363 2.265 . . . . 0.0 110.671 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.93 -25.83 67.05 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.461 1.105 . . . . 0.0 113.333 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 34.2 m -99.67 -3.45 33.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.929 1.292 . . . . 0.0 113.864 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.1 t30 52.51 54.64 10.31 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.223 1.809 . . . . 0.0 113.207 172.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.16 147.52 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.581 1.152 . . . . 0.0 111.557 -172.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -99.77 135.25 41.47 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.044 1.737 . . . . 0.0 110.967 -177.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.7 m -48.67 -38.34 20.95 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.566 1.546 . . . . 0.0 113.397 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -24.55 61.91 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.305 1.842 . . . . 0.0 114.138 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -79.17 -7.41 58.19 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.405 1.002 . . . . 0.0 112.263 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.01 -15.78 37.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.983 0.913 . . . . 0.0 112.191 174.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.4 mt -93.54 4.6 53.69 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.717 1.607 . . . . 0.0 113.514 -177.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 t -84.34 -175.48 5.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.453 1.501 . . . . 0.0 112.013 -174.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -89.56 20.19 4.11 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.06 1.744 . . . . 0.0 113.218 -172.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -150.78 123.83 8.76 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.634 2.374 . . . . 0.0 109.404 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.4 pt -80.22 -13.05 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -169.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -63.03 -27.14 69.21 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -166.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -63.97 -33.22 75.24 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.121 -0.987 . . . . 0.0 112.121 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.97 -39.71 19.39 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.88 0.872 . . . . 0.0 111.246 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 85' ' ' THR . . . -66.84 -42.21 86.13 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -177.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.42 -35.25 80.38 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.771 -1.206 . . . . 0.0 112.382 174.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.22 -37.27 80.66 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.917 0.887 . . . . 0.0 111.167 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.21 89.49 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.946 0.898 . . . . 0.0 112.513 170.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -62.86 -42.3 99.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.503 1.501 . . . . 0.0 112.523 170.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -63.28 -28.0 69.72 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.901 0.881 . . . . 0.0 112.744 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.31 -45.64 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.771 0.828 . . . . 0.0 111.45 169.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -28.72 62.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.772 1.229 . . . . 0.0 113.407 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -59.33 -22.94 62.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.799 1.64 . . . . 0.0 114.806 169.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -107.29 -42.36 4.86 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.125 1.77 . . . . 0.0 111.312 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -147.97 97.41 2.79 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.387 1.875 . . . . 0.0 110.494 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -53.04 -38.99 62.88 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -170.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -143.6 -18.17 0.61 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.887 1.275 . . . . 0.0 113.588 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.7 -14.83 62.6 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -173.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.19 -9.68 56.49 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.248 1.019 . . . . 0.0 113.716 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -120.21 122.98 42.14 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.34 1.456 . . . . 0.0 111.55 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -71.26 -31.56 67.66 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -171.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.27 -37.06 94.0 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 123.939 0.781 . . . . 0.0 112.688 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -64.34 -45.44 87.83 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.956 0.878 . . . . 0.0 112.623 177.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -77.46 -10.22 59.34 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -91.98 -35.52 13.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.88 1.272 . . . . 0.0 113.693 174.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 -27.46 1.22 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -169.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.46 -8.24 55.63 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.754 -1.216 . . . . 0.0 113.677 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -77.66 -22.54 50.45 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.447 1.099 . . . . 0.0 112.679 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.23 -35.47 7.53 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.125 0.869 . . . . 0.0 113.94 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 m -170.76 153.74 4.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.788 2.035 . . . . 0.0 111.082 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 89.2 mt -121.34 151.69 56.51 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.769 1.628 . . . . 0.0 111.123 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -72.02 152.13 56.73 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.82 3.013 . . . . 0.0 110.693 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -78.56 148.05 33.51 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 122.123 0.963 . . . . 0.0 111.611 170.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.6 pt -131.12 0.05 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.941 2.096 . . . . 0.0 112.715 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.0 m -64.42 -13.35 50.78 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -173.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.4 p -88.74 -10.25 49.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.994 1.718 . . . . 0.0 114.02 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.7 m . . . . . 0 C--O 1.254 1.307 0 C-N-CA 126.043 1.737 . . . . 0.0 112.317 -175.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 N-CA-C 112.371 -0.292 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -160.14 164.13 33.19 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.704 2.002 . . . . 0.0 112.288 -172.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.5 m -119.89 134.47 55.23 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.826 1.25 . . . . 0.0 110.708 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -101.59 160.68 14.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.626 1.57 . . . . 0.0 111.853 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t -104.67 161.93 13.72 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.919 1.688 . . . . 0.0 108.191 167.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -57.14 -48.81 77.77 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.236 0.925 . . . . 0.0 112.36 -171.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.8 p -63.96 -28.33 69.74 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.07 -48.63 31.45 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.176 0.893 . . . . 0.0 111.226 172.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.16 -47.72 83.27 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.605 1.162 . . . . 0.0 112.271 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -49.48 -45.73 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.217 0.917 . . . . 0.0 110.564 174.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -70.26 -41.73 73.08 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.062 0.945 . . . . 0.0 113.302 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.08 -40.48 95.96 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.514 1.126 . . . . 0.0 111.448 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.37 -38.4 63.18 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.217 1.007 . . . . 0.0 112.143 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -58.27 -39.69 79.89 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.401 0.546 . . . . 0.0 112.095 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -68.26 -29.68 68.53 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.789 0.836 . . . . 0.0 112.89 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -94.46 4.69 53.53 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.2 1.4 . . . . 0.0 114.51 -175.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.99 35.76 6.62 Favored Glycine 0 N--CA 1.472 1.094 0 C-N-CA 124.29 0.948 . . . . 0.0 114.394 171.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -100.09 137.79 38.05 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.844 1.258 . . . . 0.0 109.581 173.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -77.58 138.76 39.33 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.384 0.674 . . . . 0.0 111.897 -172.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.19 -26.92 68.05 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -82.48 -16.04 50.27 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.0 mt -99.39 -14.45 19.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.879 1.272 . . . . 0.0 112.407 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -51.43 -43.3 62.0 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.465 1.506 . . . . 0.0 113.034 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -55.03 -50.14 69.79 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.221 1.008 . . . . 0.0 112.521 173.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -60.31 -44.79 95.12 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.651 0.781 . . . . 0.0 110.707 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -66.91 -48.65 68.03 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.874 0.869 . . . . 0.0 112.969 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 m -66.09 -34.21 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.369 0.986 . . . . 0.0 111.683 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.5 t -70.45 -43.63 69.45 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.518 0.599 . . . . 0.0 111.871 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.16 -55.37 24.67 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.376 1.471 . . . . 0.0 110.304 169.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -62.07 -42.41 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.72 0.808 . . . . 0.0 112.087 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -62.97 -38.03 89.46 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -83.9 -17.48 40.62 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -87.08 -56.9 3.17 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.123 0.969 . . . . 0.0 112.158 174.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.1 p -117.86 -9.77 10.58 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -173.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 m 67.98 24.01 8.05 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.7 1.6 . . . . 0.0 112.356 -168.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 66.59 33.9 6.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.113 1.765 . . . . 0.0 112.406 -174.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -116.78 115.59 25.88 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.515 1.126 . . . . 0.0 110.896 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.7 p -67.53 -28.04 67.47 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 122.447 -0.158 . . . . 0.0 111.017 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.7 m -73.1 -5.87 41.93 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -75.65 143.57 42.15 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.991 -1.068 . . . . 0.0 113.244 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 p -146.99 152.67 39.0 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.435 1.894 . . . . 0.0 111.405 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -150.54 125.1 9.63 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.328 1.451 . . . . 0.0 111.224 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.0 m -87.38 140.04 29.94 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.939 1.296 . . . . 0.0 110.054 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -104.27 161.48 14.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.875 1.27 . . . . 0.0 112.625 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -64.69 -23.08 67.14 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.429 1.092 . . . . 0.0 113.247 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -85.57 5.51 31.3 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.731 1.612 . . . . 0.0 113.481 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.82 -1.71 88.41 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 125.715 1.626 . . . . 0.0 115.486 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.0 p -82.3 170.86 14.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.729 1.212 . . . . 0.0 111.84 170.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -134.09 147.97 50.95 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.472 1.109 . . . . 0.0 110.903 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -101.66 143.01 32.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.292 1.837 . . . . 0.0 109.969 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -140.05 149.51 43.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.306 1.442 . . . . 0.0 112.928 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.54 -176.97 51.89 Favored Glycine 0 N--CA 1.468 0.825 0 O-C-N 121.392 -0.818 . . . . 0.0 114.216 169.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.82 -24.29 67.69 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 -168.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -104.54 7.18 35.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.373 1.069 . . . . 0.0 111.638 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 51.32 60.08 4.13 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.85 1.66 . . . . 0.0 111.385 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.411 HD13 ' SG ' ' A' ' 90' ' ' CYS . 13.7 mt -87.03 136.94 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 125.538 1.535 . . . . 0.0 110.265 -172.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -93.42 138.88 31.31 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -169.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -67.01 -11.13 56.14 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -99.88 -12.47 19.82 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.755 1.222 . . . . 0.0 112.948 -176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -131.67 -27.31 1.93 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 -167.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -138.78 -55.83 0.61 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.183 0.901 . . . . 0.0 112.118 -168.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -98.36 174.69 6.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.774 1.23 . . . . 0.0 111.231 168.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.23 140.66 51.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.338 1.055 . . . . 0.0 112.737 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -85.12 -12.97 51.68 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -171.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.64 -164.5 19.4 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.086 0.851 . . . . 0.0 112.716 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.56 -6.73 54.69 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.5 m -138.67 150.07 64.6 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 125.883 1.673 . . . . 0.0 111.514 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -70.0 158.47 56.53 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.728 2.952 . . . . 0.0 110.741 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.38 37.32 0.02 OUTLIER Glycine 0 N--CA 1.475 1.277 0 N-CA-C 118.502 2.161 . . . . 0.0 118.502 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -127.92 -165.53 1.5 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.824 1.312 . . . . 0.0 111.888 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.4 -21.92 52.21 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -169.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 62.1 m -109.54 3.85 21.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.599 1.16 . . . . 0.0 114.117 176.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.9 m120 58.15 44.93 18.31 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.646 1.578 . . . . 0.0 112.934 169.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.5 p -148.87 153.53 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.365 1.466 . . . . 0.0 110.656 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -103.96 136.05 44.32 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.915 1.686 . . . . 0.0 111.267 -174.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.6 m -51.66 -37.01 48.62 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.254 1.422 . . . . 0.0 113.771 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -74.02 -28.42 61.43 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -18.65 63.76 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.863 -1.148 . . . . 0.0 112.662 174.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.1 -13.45 59.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.033 0.933 . . . . 0.0 112.308 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.2 mt -94.21 8.5 41.5 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.688 1.595 . . . . 0.0 112.995 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.6 p -89.37 -169.82 2.63 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.176 1.39 . . . . 0.0 112.505 -172.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -92.36 2.24 56.76 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.574 1.949 . . . . 0.0 115.101 -171.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -130.42 123.83 30.72 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.317 1.447 . . . . 0.0 109.396 169.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.4 pt -68.32 -13.74 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.493 1.117 . . . . 0.0 113.097 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.9 t -55.21 -30.99 61.07 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.948 1.299 . . . . 0.0 113.89 -171.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -63.73 -34.05 77.02 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.151 0.887 . . . . 0.0 111.309 176.422 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.06 -38.76 14.14 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.998 1.319 . . . . 0.0 111.762 176.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.0 -40.95 74.96 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.67 0.788 . . . . 0.0 113.085 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -71.1 -30.42 66.51 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.798 -1.188 . . . . 0.0 111.759 175.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.411 ' SG ' HD13 ' A' ' 56' ' ' ILE . 41.3 t -67.77 -37.56 82.26 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.323 1.049 . . . . 0.0 111.264 169.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.7 89.15 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.252 1.021 . . . . 0.0 112.6 171.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.47 -40.82 97.87 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.108 1.322 . . . . 0.0 112.266 170.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -67.98 -24.38 65.13 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.244 1.018 . . . . 0.0 113.249 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.3 mt -75.2 -45.45 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.847 0.859 . . . . 0.0 109.987 168.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -24.7 57.71 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.492 1.517 . . . . 0.0 113.87 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -56.03 -28.83 59.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.476 1.51 . . . . 0.0 114.331 169.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -115.21 -32.38 5.69 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.469 1.508 . . . . 0.0 112.886 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -143.57 83.66 1.77 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.111 1.765 . . . . 0.0 110.551 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -51.67 -40.25 59.69 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -170.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -141.93 -3.54 1.1 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.512 1.525 . . . . 0.0 113.037 169.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.77 -16.93 61.15 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.303 1.841 . . . . 0.0 114.431 -167.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.22 -4.91 55.05 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.819 1.248 . . . . 0.0 113.703 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 -124.66 139.84 53.49 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.036 1.334 . . . . 0.0 113.002 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -87.43 -32.69 19.38 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.471 1.108 . . . . 0.0 112.522 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.29 -20.59 63.28 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.841 1.21 . . . . 0.0 113.111 175.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -80.33 -66.57 0.86 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 117.85 0.825 . . . . 0.0 111.122 168.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -62.87 -25.95 68.54 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -170.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -81.46 -9.91 59.61 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -137.21 -45.96 0.56 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -174.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.0 m -68.69 -19.76 64.39 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.14 1.376 . . . . 0.0 114.355 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -80.99 -13.97 58.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.065 0.946 . . . . 0.0 112.336 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.47 -47.55 1.97 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 125.457 1.504 . . . . 0.0 112.781 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.4 m -165.37 151.4 9.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.533 1.533 . . . . 0.0 112.1 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 81.2 mt -120.64 153.06 56.47 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 125.343 1.457 . . . . 0.0 112.186 174.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.42 155.11 60.44 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.925 3.083 . . . . 0.0 110.769 172.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -83.08 149.13 27.1 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 122.228 1.013 . . . . 0.0 111.784 171.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.92 0.29 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 127.082 2.153 . . . . 0.0 112.7 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.0 m -64.34 -12.68 44.68 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -171.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.4 p -89.56 -8.97 51.54 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.036 1.734 . . . . 0.0 114.117 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.0 m . . . . . 0 C--O 1.252 1.19 0 C-N-CA 126.181 1.792 . . . . 0.0 112.523 -173.847 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 N-CA-C 111.914 -0.475 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -156.76 163.77 38.87 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.801 1.64 . . . . 0.0 112.513 -172.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 m -108.35 131.77 54.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.672 1.189 . . . . 0.0 110.659 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -96.35 155.56 16.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.228 1.811 . . . . 0.0 110.578 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -94.92 159.71 14.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.035 1.334 . . . . 0.0 108.722 168.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.31 -48.72 76.11 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.41 1.005 . . . . 0.0 112.292 -172.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.3 p -64.08 -30.58 71.64 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.15 -45.72 54.53 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.272 0.939 . . . . 0.0 111.391 173.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.1 -49.61 75.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.249 1.419 . . . . 0.0 111.813 174.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.7 t -49.08 -46.32 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.004 0.921 . . . . 0.0 110.52 173.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -69.09 -42.79 75.69 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.84 0.856 . . . . 0.0 113.24 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.19 -40.14 96.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.283 1.033 . . . . 0.0 111.322 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -73.24 -38.31 66.07 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 121.259 -0.901 . . . . 0.0 112.116 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -57.97 -40.03 79.62 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.839 -0.538 . . . . 0.0 111.856 171.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -66.96 -37.25 83.93 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.999 0.92 . . . . 0.0 112.38 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -87.5 4.58 42.89 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -174.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.25 35.94 6.46 Favored Glycine 0 N--CA 1.472 1.058 0 C-N-CA 124.471 1.034 . . . . 0.0 114.589 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -98.65 138.66 35.51 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.819 1.248 . . . . 0.0 109.74 174.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -72.68 134.76 45.22 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.62 0.768 . . . . 0.0 111.8 -174.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.33 -28.86 68.48 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -77.81 -17.52 57.36 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.1 mt -101.4 -11.64 19.22 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.229 1.412 . . . . 0.0 112.669 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.4 tpp -53.53 -42.59 67.6 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.082 1.353 . . . . 0.0 112.692 -173.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -55.4 -49.76 71.51 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.178 0.991 . . . . 0.0 112.04 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.03 -43.79 98.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.954 1.301 . . . . 0.0 110.795 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -66.96 -50.24 62.95 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.19 0.996 . . . . 0.0 112.909 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -65.76 -33.96 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.57 1.077 . . . . 0.0 111.699 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -69.77 -43.77 71.51 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.482 0.583 . . . . 0.0 111.503 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.3 -52.37 63.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.522 1.129 . . . . 0.0 110.616 170.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.21 -40.88 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.661 0.784 . . . . 0.0 111.958 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -63.35 -39.32 94.2 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -83.29 -16.67 45.36 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -90.89 -56.84 3.03 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.465 1.106 . . . . 0.0 112.003 174.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 m -126.67 3.93 6.76 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m 60.09 25.36 14.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.571 1.548 . . . . 0.0 113.688 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 mtm-85 68.82 24.84 6.41 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.109 1.764 . . . . 0.0 113.266 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -116.95 120.19 37.65 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.124 1.77 . . . . 0.0 110.83 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.0 p -69.37 -26.41 64.65 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 119.09 -0.481 . . . . 0.0 112.224 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -76.12 -3.83 38.23 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -74.84 140.56 44.0 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.956 -1.09 . . . . 0.0 113.317 -172.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.4 p -143.2 155.83 44.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.273 1.829 . . . . 0.0 111.881 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -150.53 130.49 13.39 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.19 1.396 . . . . 0.0 111.305 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.6 m -86.16 142.86 28.33 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.444 1.098 . . . . 0.0 109.918 176.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -102.11 157.01 17.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.306 1.443 . . . . 0.0 111.717 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -63.21 -22.6 66.97 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.179 0.991 . . . . 0.0 113.095 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -84.93 2.8 41.18 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.785 1.634 . . . . 0.0 113.689 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.25 -2.87 85.47 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.602 1.572 . . . . 0.0 115.781 172.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.3 p -86.35 163.83 17.43 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.834 1.254 . . . . 0.0 111.65 171.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -125.03 151.12 46.02 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.423 1.089 . . . . 0.0 111.288 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -101.91 145.62 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.525 1.93 . . . . 0.0 110.041 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -143.91 148.11 34.95 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.194 1.398 . . . . 0.0 113.137 -171.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.9 -177.96 49.3 Favored Glycine 0 N--CA 1.468 0.772 0 O-C-N 121.596 -0.69 . . . . 0.0 113.794 172.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -14.21 61.21 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 -168.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.77 15.23 17.52 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.845 1.258 . . . . 0.0 111.458 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 45.2 57.62 4.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.1 1.76 . . . . 0.0 111.745 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.4 mt -82.77 133.62 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.83 1.252 . . . . 0.0 109.917 -172.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -95.72 137.6 34.57 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -169.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -65.18 -13.41 58.14 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -175.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -89.01 -13.36 38.98 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.007 0.923 . . . . 0.0 112.926 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -130.65 -61.85 0.94 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -168.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -101.73 -51.97 3.31 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.685 0.794 . . . . 0.0 112.698 -167.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.4 p -101.35 169.08 9.12 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.329 1.452 . . . . 0.0 112.754 172.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.3 t -117.19 132.35 56.66 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.043 1.737 . . . . 0.0 112.108 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -83.95 -10.92 57.57 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 177.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.13 -159.98 17.13 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.29 0.948 . . . . 0.0 113.281 -169.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.55 -8.02 55.67 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -150.91 151.24 29.57 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 125.444 1.497 . . . . 0.0 111.576 -171.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -67.59 147.15 75.87 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.209 2.606 . . . . 0.0 109.755 169.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.95 29.23 0.02 OUTLIER Glycine 0 N--CA 1.475 1.292 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 -171.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -119.01 -168.87 1.63 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.264 1.425 . . . . 0.0 110.723 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.54 -29.24 66.18 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -168.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.6 m -104.52 7.69 35.33 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.1 t30 54.24 49.67 18.1 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.903 1.681 . . . . 0.0 112.749 171.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.3 p -149.77 143.99 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.331 1.452 . . . . 0.0 110.248 -171.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -94.41 134.47 36.89 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.079 1.352 . . . . 0.0 110.913 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.6 m -48.03 -36.6 13.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.068 1.747 . . . . 0.0 113.886 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -69.81 -31.61 69.6 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -73.01 -10.46 59.83 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 120.549 -1.345 . . . . 0.0 112.272 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 mt -81.21 -14.73 57.22 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.465 -0.772 . . . . 0.0 112.283 170.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.7 mt -95.05 7.85 44.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.498 1.519 . . . . 0.0 112.932 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.7 t -80.47 -178.28 6.61 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.528 1.531 . . . . 0.0 111.95 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -92.35 10.87 28.01 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.42 1.488 . . . . 0.0 113.88 -170.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -135.27 127.12 29.38 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.102 1.761 . . . . 0.0 108.179 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.3 pt -68.77 -13.95 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 124.807 1.243 . . . . 0.0 113.048 -174.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t -52.21 -37.34 54.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.302 1.841 . . . . 0.0 114.462 -170.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -63.65 -32.03 73.38 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.279 0.632 . . . . 0.0 112.369 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -41.35 13.89 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.898 1.279 . . . . 0.0 111.298 174.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.66 97.09 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.584 1.154 . . . . 0.0 113.117 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.62 -33.27 72.42 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.12 -0.987 . . . . 0.0 112.714 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 25.4 t -67.36 -38.49 84.87 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.954 0.902 . . . . 0.0 111.222 171.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.89 -35.22 77.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.447 1.099 . . . . 0.0 113.078 173.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.64 -40.5 95.12 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.359 1.436 . . . . 0.0 112.636 171.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -69.52 -20.9 63.69 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.529 -0.732 . . . . 0.0 112.925 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 92.3 mt -77.88 -48.65 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.281 -0.887 . . . . 0.0 109.719 168.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -28.67 62.66 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.928 1.291 . . . . 0.0 114.027 178.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -58.62 -23.75 59.6 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.971 2.108 . . . . 0.0 114.193 172.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -115.81 -34.18 4.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.874 1.67 . . . . 0.0 112.567 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -144.68 82.92 1.69 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.888 2.075 . . . . 0.0 110.176 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.586 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -41.61 -43.89 2.9 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.213 1.805 . . . . 0.0 114.31 -171.71 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -144.46 -4.42 0.78 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.307 1.843 . . . . 0.0 112.767 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -12.84 60.03 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.627 1.971 . . . . 0.0 113.944 -167.223 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.42 -5.86 55.6 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.961 1.304 . . . . 0.0 113.602 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -121.62 137.27 54.81 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.45 1.5 . . . . 0.0 112.276 -174.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -83.95 -37.09 22.73 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -170.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -65.18 -28.91 74.11 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 123.781 0.705 . . . . 0.0 112.398 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -66.18 -45.36 81.14 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -81.49 -15.92 53.5 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -95.28 -29.09 14.67 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.471 1.108 . . . . 0.0 113.844 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -126.94 -46.07 1.56 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 55.3 m -69.92 -7.19 38.37 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -172.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -74.04 -23.28 59.37 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.132 0.973 . . . . 0.0 112.682 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.83 -39.75 7.43 Favored Glycine 0 N--CA 1.471 1.0 0 C-N-CA 123.959 0.79 . . . . 0.0 113.588 -176.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.9 t -169.87 152.43 4.46 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.478 1.511 . . . . 0.0 111.414 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.4 mt -120.93 149.34 50.72 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.991 1.716 . . . . 0.0 111.417 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -73.58 166.31 30.13 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 124.001 3.134 . . . . 0.0 112.198 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.13 144.68 38.27 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.145 0.978 . . . . 0.0 112.552 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.1 pt -128.07 -4.91 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.867 1.667 . . . . 0.0 113.401 171.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 96.0 p -69.13 -16.12 63.58 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.802 -1.186 . . . . 0.0 113.245 -178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.9 m -84.65 -3.44 58.51 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.128 1.371 . . . . 0.0 113.67 170.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.642 1.577 . . . . 0.0 112.419 -173.474 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.304 0 N-CA-C 112.244 -0.342 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -157.72 163.5 38.08 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.189 1.796 . . . . 0.0 112.494 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -106.3 134.11 49.96 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.827 1.251 . . . . 0.0 110.427 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -99.07 156.44 16.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.225 1.81 . . . . 0.0 110.628 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.7 t -95.63 159.63 14.9 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.863 1.265 . . . . 0.0 108.571 168.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.13 -45.64 79.5 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.285 0.948 . . . . 0.0 111.959 -175.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.5 m -61.33 -35.83 78.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.5 -44.25 51.04 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 124.188 0.899 . . . . 0.0 111.527 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.74 -48.8 77.63 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.043 1.337 . . . . 0.0 111.875 176.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.2 t -49.94 -45.98 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 119.082 0.856 . . . . 0.0 110.553 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -69.18 -44.22 72.65 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.998 0.919 . . . . 0.0 113.23 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.2 -42.39 98.5 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.357 1.063 . . . . 0.0 110.993 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.51 -40.23 70.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.887 0.875 . . . . 0.0 112.219 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -56.36 -40.95 75.35 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 118.272 0.487 . . . . 0.0 111.845 172.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -72.33 -26.37 61.91 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.944 0.898 . . . . 0.0 113.253 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -92.34 6.14 47.98 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.192 1.397 . . . . 0.0 114.187 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.96 23.03 21.59 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.741 1.162 . . . . 0.0 115.321 169.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -89.15 137.6 32.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.431 1.116 . . . . 0.0 109.923 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -74.6 136.52 42.03 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.683 0.793 . . . . 0.0 111.974 -174.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.36 -27.85 67.72 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -79.25 -19.11 51.44 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.0 mt -97.49 -17.2 19.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.006 1.322 . . . . 0.0 112.391 175.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.1 tpp -49.25 -44.44 43.71 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.164 1.786 . . . . 0.0 113.536 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -56.95 -46.57 82.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.173 0.989 . . . . 0.0 112.912 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -63.88 -44.52 92.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.193 0.597 . . . . 0.0 111.225 173.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -64.55 -49.13 72.42 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.696 -0.669 . . . . 0.0 112.697 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 m -65.95 -35.27 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.465 1.029 . . . . 0.0 111.786 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -71.49 -41.25 69.54 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.669 0.668 . . . . 0.0 111.735 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 tt -56.38 -52.95 62.72 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.967 1.307 . . . . 0.0 110.269 169.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.96 -39.99 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.662 0.785 . . . . 0.0 112.019 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -63.19 -40.71 98.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -81.39 -18.76 44.37 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -90.0 -57.25 2.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.261 1.024 . . . . 0.0 111.938 175.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 m -125.65 5.35 7.49 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -170.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m 60.4 22.35 11.93 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.311 1.445 . . . . 0.0 113.841 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 68.41 26.46 6.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.738 1.615 . . . . 0.0 112.903 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -117.67 118.47 32.19 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.838 1.655 . . . . 0.0 111.172 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.8 p -68.89 -26.24 65.01 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -74.96 -5.48 44.12 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -70.76 136.83 49.14 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.801 -1.187 . . . . 0.0 112.645 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -143.01 148.98 37.67 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.896 2.079 . . . . 0.0 111.472 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -149.54 128.76 12.83 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.86 1.264 . . . . 0.0 111.691 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -87.96 141.26 28.72 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.762 1.225 . . . . 0.0 110.252 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -102.38 157.81 16.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.479 1.512 . . . . 0.0 112.085 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -57.1 -30.57 64.48 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.641 1.176 . . . . 0.0 113.904 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -74.7 -4.4 37.18 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 126.493 1.917 . . . . 0.0 114.066 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.25 81.99 Favored Glycine 0 N--CA 1.475 1.299 0 C-N-CA 125.531 1.539 . . . . 0.0 115.217 173.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 p -89.59 163.1 15.32 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.548 1.539 . . . . 0.0 111.656 172.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -122.59 149.91 43.33 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.566 1.146 . . . . 0.0 111.158 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -100.12 144.4 29.2 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.756 2.022 . . . . 0.0 110.147 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.45 148.31 37.53 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.332 1.453 . . . . 0.0 112.726 -171.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.07 -177.34 48.4 Favored Glycine 0 N--CA 1.469 0.863 0 O-C-N 121.536 -0.727 . . . . 0.0 114.081 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -13.2 60.15 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 -168.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -115.54 15.55 16.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.864 1.266 . . . . 0.0 111.44 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 44.23 58.49 3.71 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.233 1.813 . . . . 0.0 111.794 -176.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.2 mt -83.92 132.81 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.555 1.142 . . . . 0.0 110.27 -171.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -94.15 138.88 31.69 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -169.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.14 -12.15 53.89 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -175.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -94.94 -15.38 23.64 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.327 1.051 . . . . 0.0 113.175 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -128.67 -27.5 2.58 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 116.797 2.147 . . . . 0.0 116.797 -167.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -138.47 -56.89 0.64 Allowed 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.312 0.96 . . . . 0.0 112.693 -168.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 p -97.5 168.62 10.26 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.033 1.333 . . . . 0.0 111.85 169.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 t -117.88 133.83 55.54 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.385 1.474 . . . . 0.0 112.136 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -83.01 -12.62 57.09 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.75 -170.73 29.53 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.177 0.894 . . . . 0.0 112.416 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.64 -4.5 19.66 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -173.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.3 p -156.33 155.3 28.74 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 127.003 2.121 . . . . 0.0 110.289 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.62 151.28 69.84 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.877 2.385 . . . . 0.0 110.351 175.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.72 32.73 0.02 OUTLIER Glycine 0 N--CA 1.477 1.389 0 N-CA-C 117.697 1.839 . . . . 0.0 117.697 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -121.9 -168.86 1.78 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.191 1.396 . . . . 0.0 110.622 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.62 -23.96 63.43 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -169.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.8 m -105.95 4.04 29.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.668 1.187 . . . . 0.0 113.871 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.3 t30 54.1 50.61 16.21 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.107 1.763 . . . . 0.0 112.675 173.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.2 p -150.43 148.8 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.61 1.564 . . . . 0.0 109.863 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.2 tttt -99.92 135.55 41.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.375 1.47 . . . . 0.0 110.8 -175.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.9 m -49.98 -37.16 31.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.804 1.642 . . . . 0.0 114.05 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -73.64 -29.18 62.19 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.697 -0.627 . . . . 0.0 112.571 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -13.02 62.0 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.96 -1.088 . . . . 0.0 113.001 173.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.6 mt -81.89 -11.47 58.9 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.907 0.883 . . . . 0.0 112.358 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.4 mt -97.48 7.37 46.63 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.461 1.505 . . . . 0.0 113.096 -174.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.4 p -80.85 -177.12 6.22 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.051 1.34 . . . . 0.0 112.63 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.52 -8.22 59.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.545 1.538 . . . . 0.0 114.892 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -114.94 125.98 54.25 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.126 1.371 . . . . 0.0 109.61 169.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.9 pt -69.49 -14.08 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.437 1.495 . . . . 0.0 113.336 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.8 t -53.45 -33.46 54.19 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.156 1.382 . . . . 0.0 114.702 -168.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -31.89 72.94 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.166 0.893 . . . . 0.0 111.872 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.24 -40.33 16.75 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.464 1.105 . . . . 0.0 110.74 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.35 79.31 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.076 0.951 . . . . 0.0 113.414 -177.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -67.62 -36.34 80.62 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.844 -1.16 . . . . 0.0 112.878 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.4 t -74.01 -31.87 63.12 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.772 1.629 . . . . 0.0 111.054 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.92 93.87 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.53 1.132 . . . . 0.0 111.745 168.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -42.01 95.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.874 1.216 . . . . 0.0 112.812 172.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -66.6 -24.06 66.27 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.137 0.975 . . . . 0.0 112.901 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 80.2 mt -78.66 -47.1 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.831 0.852 . . . . 0.0 110.248 168.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -27.01 53.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.363 1.465 . . . . 0.0 113.653 176.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.29 -17.66 5.01 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.853 2.061 . . . . 0.0 115.149 169.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -130.47 -29.67 1.96 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.699 1.599 . . . . 0.0 113.216 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -140.69 82.49 1.85 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.168 1.787 . . . . 0.0 110.409 -175.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -51.05 -40.38 58.17 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -169.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -140.7 -4.83 1.21 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.542 1.537 . . . . 0.0 112.885 170.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.28 -17.49 60.85 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.456 1.902 . . . . 0.0 114.457 -167.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.78 -5.61 53.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.589 1.156 . . . . 0.0 113.718 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.7 m-90 -124.84 122.55 37.72 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.932 1.293 . . . . 0.0 111.985 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -70.8 -32.78 69.97 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -171.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.47 -30.72 78.43 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 123.83 0.729 . . . . 0.0 112.673 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -70.25 -46.33 64.64 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.029 0.915 . . . . 0.0 112.579 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -77.87 -12.36 59.97 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -98.32 -29.92 12.89 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.466 1.106 . . . . 0.0 113.897 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -124.4 -43.47 2.05 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 69.3 m -69.14 -9.09 51.1 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -75.28 -21.68 58.33 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.156 0.982 . . . . 0.0 112.651 175.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.16 -44.56 5.61 Favored Glycine 0 C--N 1.344 0.974 0 C-N-CA 124.08 0.848 . . . . 0.0 112.999 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.5 t -169.75 157.2 6.79 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.711 1.605 . . . . 0.0 111.195 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.73 150.72 53.22 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.695 1.598 . . . . 0.0 111.839 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -69.94 145.86 57.37 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.767 2.978 . . . . 0.0 110.39 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -80.78 152.22 28.4 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 122.444 1.116 . . . . 0.0 111.248 172.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.2 pt -135.85 1.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 127.317 2.247 . . . . 0.0 112.547 -172.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 99.7 p -58.2 -19.98 37.74 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.9 m -80.75 -8.67 59.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.124 1.37 . . . . 0.0 114.054 173.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.25 1.097 0 C-N-CA 125.803 1.641 . . . . 0.0 112.157 -175.108 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.313 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -158.38 166.07 33.16 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.139 1.776 . . . . 0.0 112.503 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 m -108.03 130.4 55.08 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.849 1.26 . . . . 0.0 110.016 175.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -94.42 158.82 15.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.955 1.702 . . . . 0.0 110.907 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -99.15 158.88 15.37 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.152 1.381 . . . . 0.0 108.597 168.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -56.07 -45.74 79.23 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.32 0.964 . . . . 0.0 111.984 -175.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.6 m -61.89 -33.46 74.26 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.13 -45.5 31.39 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 124.216 0.912 . . . . 0.0 111.421 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.23 -48.82 78.29 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.153 1.381 . . . . 0.0 111.971 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.9 t -50.42 -45.56 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.07 0.85 . . . . 0.0 110.585 174.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -69.52 -43.38 73.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.033 0.933 . . . . 0.0 113.268 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.47 -38.79 91.2 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.762 1.225 . . . . 0.0 111.248 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.77 -40.5 55.19 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.814 0.846 . . . . 0.0 112.268 176.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -55.84 -41.29 74.06 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.366 0.53 . . . . 0.0 111.609 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -66.41 -39.26 88.88 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.412 1.885 . . . . 0.0 112.423 173.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -85.03 -1.32 56.69 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -176.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.03 39.94 3.67 Favored Glycine 0 N--CA 1.472 1.092 0 C-N-CA 124.74 1.162 . . . . 0.0 114.509 172.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -104.2 139.22 39.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.2 1.4 . . . . 0.0 109.518 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -76.87 137.9 39.44 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.398 0.679 . . . . 0.0 111.898 -172.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.25 -26.85 68.04 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -82.31 -15.43 52.94 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.9 mt -100.31 -13.99 18.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.877 1.271 . . . . 0.0 112.344 173.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.2 tpp -51.47 -44.35 62.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.383 1.473 . . . . 0.0 112.961 -174.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -55.76 -48.03 75.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.123 0.969 . . . . 0.0 112.558 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -61.31 -46.44 90.27 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.703 0.801 . . . . 0.0 110.576 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -65.41 -49.4 69.38 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.948 0.899 . . . . 0.0 112.715 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.2 m -65.91 -34.11 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 119.319 0.963 . . . . 0.0 111.761 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -72.17 -42.12 66.26 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.637 0.653 . . . . 0.0 111.942 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.63 -53.07 59.62 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.507 1.523 . . . . 0.0 110.347 169.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 t -60.82 -42.05 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.784 0.834 . . . . 0.0 111.584 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -64.12 -30.42 71.48 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -85.28 -22.23 28.67 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -91.55 -55.46 3.49 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.092 0.957 . . . . 0.0 112.337 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.8 p -111.43 -16.32 13.36 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.3 m 66.99 28.49 8.46 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.721 1.208 . . . . 0.0 111.588 -166.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 74.5 29.76 1.15 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.372 1.869 . . . . 0.0 112.347 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -117.65 115.36 24.92 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.05 1.34 . . . . 0.0 111.964 -173.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.9 p -69.44 -26.46 64.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 122.096 -0.378 . . . . 0.0 111.591 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.2 m -74.94 -2.36 26.68 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -71.85 142.93 49.58 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 121.064 -1.022 . . . . 0.0 113.315 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.3 p -153.15 150.74 29.39 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 127.984 2.513 . . . . 0.0 111.197 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -157.32 123.01 4.67 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.138 1.775 . . . . 0.0 110.292 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 m -89.92 137.51 32.27 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.712 1.205 . . . . 0.0 110.267 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -106.01 162.67 13.4 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.212 1.405 . . . . 0.0 112.595 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -64.07 -24.17 67.6 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.538 1.135 . . . . 0.0 113.304 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.86 -14.98 61.61 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.59 1.556 . . . . 0.0 113.783 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.8 -1.37 74.79 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.451 1.5 . . . . 0.0 114.127 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.4 p -81.25 173.73 12.21 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.873 1.269 . . . . 0.0 111.728 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -143.9 153.39 42.26 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.87 1.268 . . . . 0.0 111.184 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.79 148.81 26.13 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.701 0.8 . . . . 0.0 110.924 169.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -143.0 139.11 30.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.105 1.362 . . . . 0.0 112.17 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.85 -172.45 53.11 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 115.872 1.109 . . . . 0.0 115.872 168.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.77 -19.19 62.73 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -169.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.05 14.55 17.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.009 1.724 . . . . 0.0 111.542 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 56.04 49.06 16.43 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.521 1.929 . . . . 0.0 111.447 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.421 HD13 ' SG ' ' A' ' 90' ' ' CYS . 7.2 mt -80.0 134.43 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 124.389 1.076 . . . . 0.0 110.136 -169.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -101.08 136.27 41.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.558 0.694 . . . . 0.0 112.524 -171.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -64.79 -12.23 45.43 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.086 1.884 . . . . 0.0 116.086 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -81.94 -18.52 43.27 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.517 1.127 . . . . 0.0 112.804 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -131.0 -59.41 0.99 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -167.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -102.55 -51.8 3.24 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.785 0.834 . . . . 0.0 113.158 -166.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.0 p -100.8 167.71 10.12 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.215 1.406 . . . . 0.0 112.911 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -114.83 131.21 56.9 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.765 1.626 . . . . 0.0 112.121 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -84.85 -10.35 57.24 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.11 -159.78 19.96 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.413 1.006 . . . . 0.0 113.369 -170.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.88 -2.28 32.68 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.2 p -158.19 153.69 22.42 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.229 1.411 . . . . 0.0 112.105 -172.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -69.94 146.89 60.42 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.447 2.765 . . . . 0.0 110.233 171.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.2 29.98 0.02 OUTLIER Glycine 0 N--CA 1.475 1.299 0 N-CA-C 117.321 1.688 . . . . 0.0 117.321 -171.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -119.34 -168.91 1.66 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.383 1.473 . . . . 0.0 110.773 175.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.75 -26.06 63.62 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -168.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 65.6 m -107.19 5.9 28.18 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.66 1.184 . . . . 0.0 113.944 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 54.16 50.18 17.08 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.941 1.696 . . . . 0.0 112.753 172.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.2 p -150.25 143.49 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.25 1.42 . . . . 0.0 110.397 -172.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -92.26 134.6 34.74 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.946 1.298 . . . . 0.0 111.182 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 72.5 m -48.63 -36.19 15.31 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.232 1.813 . . . . 0.0 114.142 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -68.99 -33.3 73.46 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.8 -9.73 58.99 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.758 -1.214 . . . . 0.0 112.478 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -81.41 -14.74 56.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.905 0.775 . . . . 0.0 112.439 171.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 mt -96.02 10.94 35.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.258 1.423 . . . . 0.0 113.095 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -85.58 -178.33 6.64 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.715 1.606 . . . . 0.0 112.204 -176.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -86.75 -6.57 58.79 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -171.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -117.68 126.46 52.53 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.154 1.382 . . . . 0.0 109.252 168.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.2 pt -68.29 -14.01 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.69 1.196 . . . . 0.0 113.336 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.7 t -51.95 -37.51 53.13 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.984 1.714 . . . . 0.0 114.489 -169.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.59 -32.62 74.14 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.27 0.628 . . . . 0.0 112.114 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.74 -38.94 16.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.997 1.319 . . . . 0.0 111.539 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.12 86.01 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.375 1.07 . . . . 0.0 113.244 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.45 -32.26 71.09 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.784 -1.198 . . . . 0.0 112.489 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.421 ' SG ' HD13 ' A' ' 56' ' ' ILE . 38.2 t -67.87 -36.99 81.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.068 0.947 . . . . 0.0 111.264 170.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.37 85.56 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.147 0.979 . . . . 0.0 112.7 171.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -63.78 -41.76 97.89 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.529 1.513 . . . . 0.0 112.331 170.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -63.67 -26.83 68.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.861 0.864 . . . . 0.0 112.761 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 86.8 mt -75.98 -49.22 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.731 0.812 . . . . 0.0 111.013 168.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -27.75 62.59 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.881 1.272 . . . . 0.0 113.504 -178.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -57.67 -22.18 44.4 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.985 1.714 . . . . 0.0 114.949 169.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -115.66 -36.27 4.28 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.545 1.538 . . . . 0.0 112.267 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -141.13 81.15 1.77 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.093 1.757 . . . . 0.0 110.661 -173.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -42.24 33.47 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -169.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -139.61 -7.74 1.28 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.113 1.365 . . . . 0.0 113.052 169.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.04 -13.92 61.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.68 1.192 . . . . 0.0 113.978 -172.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.01 -7.84 53.92 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 172.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -126.84 107.9 10.53 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.893 1.277 . . . . 0.0 112.58 -174.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -52.19 -35.26 48.64 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.928 1.691 . . . . 0.0 113.024 169.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.01 -13.76 49.81 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 125.215 1.388 . . . . 0.0 114.102 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -96.84 -56.9 2.42 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.839 1.32 . . . . 0.0 112.401 168.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -70.31 -16.47 63.01 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -172.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -113.14 -9.07 13.54 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -139.64 -8.28 1.26 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 -170.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 96.5 m -103.44 1.71 32.85 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.637 1.108 . . . . 0.0 113.921 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -86.15 -21.38 27.59 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -170.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.08 -36.43 11.13 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.787 0.708 . . . . 0.0 113.441 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.2 t -171.98 154.16 3.41 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.31 1.844 . . . . 0.0 110.802 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 87.9 mt -117.87 151.28 48.57 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.647 1.579 . . . . 0.0 111.603 175.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -70.2 151.37 66.54 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.742 2.961 . . . . 0.0 110.714 174.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -79.11 148.9 32.22 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 122.236 1.017 . . . . 0.0 111.822 171.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.3 pt -129.1 -0.24 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.999 2.12 . . . . 0.0 112.735 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.4 m -63.58 -17.65 63.07 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -174.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.5 m -83.98 -6.93 59.51 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.153 1.381 . . . . 0.0 113.836 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--O 1.254 1.312 0 C-N-CA 125.673 1.589 . . . . 0.0 112.164 -174.711 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.332 0 N-CA-C 112.174 -0.37 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -160.09 168.65 25.05 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.657 1.983 . . . . 0.0 112.607 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 m -115.73 132.79 56.53 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.771 1.229 . . . . 0.0 110.51 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.37 162.28 13.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.489 1.516 . . . . 0.0 111.688 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.3 t -104.47 160.51 14.86 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.593 1.557 . . . . 0.0 107.99 166.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -57.39 -44.12 84.22 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.364 0.984 . . . . 0.0 111.997 -174.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m -63.41 -25.44 68.28 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 176.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.77 -48.34 6.69 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.459 1.028 . . . . 0.0 111.201 171.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.14 -46.26 88.04 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.402 1.081 . . . . 0.0 112.436 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.09 -45.0 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 119.378 0.99 . . . . 0.0 110.514 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -70.39 -42.33 71.85 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.21 1.004 . . . . 0.0 113.057 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.07 -42.14 98.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.498 1.119 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -73.66 -39.47 64.44 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.914 0.886 . . . . 0.0 112.137 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -56.19 -41.43 75.55 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.983 0.513 . . . . 0.0 111.738 172.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -69.84 -31.83 69.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.857 1.263 . . . . 0.0 112.662 174.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -87.96 -0.53 57.13 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.941 1.459 . . . . 0.0 114.941 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.77 35.53 5.84 Favored Glycine 0 N--CA 1.472 1.044 0 C-N-CA 124.501 1.048 . . . . 0.0 114.272 172.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -91.31 149.06 21.91 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.109 0.955 . . . . 0.0 111.316 173.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -72.0 122.35 20.71 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.846 1.658 . . . . 0.0 110.316 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.18 -27.65 69.11 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -175.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -81.2 -14.44 57.54 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 mt -103.6 -5.5 22.6 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.617 1.167 . . . . 0.0 113.179 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.3 tpp -52.05 -44.01 64.05 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.598 1.159 . . . . 0.0 112.541 -174.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -54.83 -48.62 72.6 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.634 1.174 . . . . 0.0 112.332 173.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -61.42 -46.53 89.75 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.077 1.351 . . . . 0.0 110.698 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -65.62 -50.0 66.63 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.65 1.18 . . . . 0.0 112.714 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.8 m -64.93 -34.98 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.021 0.828 . . . . 0.0 111.501 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -71.52 -41.97 68.55 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.769 0.713 . . . . 0.0 112.104 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.53 -53.8 49.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.793 1.237 . . . . 0.0 110.303 170.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.96 -40.75 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.448 0.699 . . . . 0.0 112.037 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.03 -22.37 66.98 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -101.62 -14.09 17.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -89.45 -55.84 3.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.273 1.029 . . . . 0.0 111.562 172.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.5 p -114.49 -15.79 12.0 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m 68.92 26.52 5.78 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.871 1.269 . . . . 0.0 111.345 -166.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 71.08 32.01 2.37 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.155 2.182 . . . . 0.0 113.006 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -113.53 115.13 27.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.776 1.231 . . . . 0.0 111.478 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.5 p -70.04 -25.58 63.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 119.261 -0.4 . . . . 0.0 111.908 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -78.3 -2.4 37.85 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -68.84 142.31 54.88 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.225 -0.922 . . . . 0.0 113.094 -172.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.6 p -153.42 145.2 23.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.505 2.322 . . . . 0.0 111.379 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -156.14 127.11 6.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.781 1.632 . . . . 0.0 110.542 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.6 m -81.66 137.18 35.47 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.3 1.04 . . . . 0.0 110.495 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -99.48 160.68 14.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.717 1.607 . . . . 0.0 112.217 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.42 -23.91 67.61 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.44 1.096 . . . . 0.0 113.363 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -80.11 -4.46 52.97 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.402 1.481 . . . . 0.0 114.135 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.56 -3.47 85.13 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.227 1.394 . . . . 0.0 114.369 -177.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 p -79.68 178.91 7.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.551 1.54 . . . . 0.0 111.791 169.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -142.21 160.86 39.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.958 1.303 . . . . 0.0 110.644 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.21 148.3 23.69 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.282 1.033 . . . . 0.0 110.691 169.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -142.63 133.82 26.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.256 1.422 . . . . 0.0 111.488 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.55 -173.14 51.12 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 116.016 1.166 . . . . 0.0 116.016 169.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.35 -19.91 63.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -168.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -115.28 17.17 16.71 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.083 1.753 . . . . 0.0 111.194 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 55.61 46.37 22.93 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.072 1.749 . . . . 0.0 111.589 171.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.0 mt -77.26 133.33 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.456 1.102 . . . . 0.0 109.627 -169.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -101.13 140.29 35.64 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.594 0.712 . . . . 0.0 112.643 -173.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.81 -9.03 25.01 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.173 1.389 . . . . 0.0 114.322 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -86.41 -18.34 32.01 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.335 1.454 . . . . 0.0 113.145 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -131.6 -35.17 1.31 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -167.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -139.67 -40.17 0.45 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -167.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.8 p -102.15 169.15 8.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.08 0.952 . . . . 0.0 113.565 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.4 t -113.71 129.44 56.57 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.634 1.574 . . . . 0.0 111.082 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -89.14 -9.53 50.64 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.94 -159.04 21.31 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.663 1.125 . . . . 0.0 112.958 -173.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.89 2.02 24.92 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 t -159.95 143.9 10.64 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.46 1.104 . . . . 0.0 111.903 -171.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.68 150.95 79.61 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.415 2.743 . . . . 0.0 111.102 172.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 161.63 93.03 0.09 OUTLIER Glycine 0 N--CA 1.468 0.828 0 O-C-N 122.085 -0.385 . . . . 0.0 112.897 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -167.26 -175.16 2.83 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 129.055 2.942 . . . . 0.0 109.502 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -56.24 -23.56 36.77 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.554 1.142 . . . . 0.0 114.035 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 64.3 m -109.9 -1.85 17.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.221 1.409 . . . . 0.0 114.626 176.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 49.98 54.98 10.13 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.873 1.669 . . . . 0.0 113.538 173.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.1 144.03 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.571 1.148 . . . . 0.0 111.334 -172.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -97.1 135.26 39.33 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.135 1.374 . . . . 0.0 110.965 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.2 m -47.99 -37.71 15.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.772 1.629 . . . . 0.0 114.178 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -69.17 -33.57 73.6 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.62 -11.2 60.73 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.787 -1.195 . . . . 0.0 112.667 174.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.7 mt -81.36 -14.66 56.99 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.509 -0.745 . . . . 0.0 112.643 173.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.4 mt -97.57 8.91 43.77 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.249 1.42 . . . . 0.0 113.395 -176.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -85.11 -177.57 6.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.862 1.665 . . . . 0.0 112.31 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -85.73 -6.5 59.11 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -172.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -116.37 124.75 50.85 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.305 1.442 . . . . 0.0 109.655 169.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.5 pt -68.54 -14.97 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.632 1.173 . . . . 0.0 113.443 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.1 t -53.91 -33.26 56.12 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -169.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.45 -33.41 75.87 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.391 0.541 . . . . 0.0 111.605 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.65 -38.8 17.98 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.937 1.295 . . . . 0.0 111.525 173.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.22 75.77 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.041 0.936 . . . . 0.0 113.423 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -71.59 -30.13 65.47 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.716 -1.24 . . . . 0.0 112.427 173.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.2 t -67.31 -37.82 83.96 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.309 0.644 . . . . 0.0 110.956 169.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.28 93.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.163 0.985 . . . . 0.0 112.684 172.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -61.33 -40.97 96.2 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.195 1.361 . . . . 0.0 112.188 170.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -67.95 -21.9 65.06 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.301 1.04 . . . . 0.0 113.371 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 90.7 mt -79.86 -44.64 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.186 0.994 . . . . 0.0 110.326 168.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -25.89 56.26 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.313 1.445 . . . . 0.0 113.851 177.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -55.7 -26.64 46.06 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.487 1.515 . . . . 0.0 114.355 169.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.3 mtt85 -114.04 -37.97 4.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.503 1.521 . . . . 0.0 112.642 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -143.66 94.42 2.6 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.605 1.562 . . . . 0.0 110.758 -176.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -54.47 -39.7 67.73 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -171.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -142.93 -16.48 0.69 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.068 1.347 . . . . 0.0 113.561 176.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.38 -11.29 60.21 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -171.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.81 -7.3 47.46 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.212 1.005 . . . . 0.0 113.603 171.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.3 m-90 -125.3 127.75 47.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.419 1.488 . . . . 0.0 111.85 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -78.44 -32.82 48.74 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -170.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.6 -29.2 74.52 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.216 0.912 . . . . 0.0 112.593 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -64.25 -55.9 18.34 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.037 0.919 . . . . 0.0 112.072 172.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -69.74 -19.17 63.54 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -93.75 -28.07 16.14 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -130.55 -14.57 3.66 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -174.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.9 m -114.1 1.6 14.66 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 -169.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -33.05 59.33 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -171.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.17 -24.98 8.58 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.48 1.038 . . . . 0.0 114.777 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -153.31 138.54 17.45 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.241 1.416 . . . . 0.0 111.374 -171.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.9 mt -127.11 152.62 76.1 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 125.595 1.558 . . . . 0.0 112.03 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.43 156.1 62.32 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 124.307 3.338 . . . . 0.0 112.106 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -77.77 142.89 38.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.091 0.956 . . . . 0.0 111.63 170.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.78 -0.82 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.678 1.991 . . . . 0.0 112.876 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.6 p -66.54 -13.51 61.07 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.2 m -82.18 -8.09 59.64 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.919 1.288 . . . . 0.0 113.837 170.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.672 1.589 . . . . 0.0 112.102 -176.28 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.084 0 N-CA-C 111.983 -0.447 . . . . 0.0 111.983 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -156.67 162.98 39.81 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.88 1.672 . . . . 0.0 112.573 -171.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 m -108.5 132.91 53.34 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.707 1.203 . . . . 0.0 110.614 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -98.83 155.66 17.26 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.935 1.694 . . . . 0.0 110.778 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.4 t -93.88 161.34 14.35 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.764 1.226 . . . . 0.0 108.544 168.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -56.62 -46.61 80.83 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.363 0.983 . . . . 0.0 111.866 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.3 m -60.29 -37.91 81.96 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.582 -0.699 . . . . 0.0 112.815 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.66 -45.6 65.51 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.168 0.89 . . . . 0.0 111.63 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.35 -49.33 75.98 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.074 1.349 . . . . 0.0 111.919 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.6 t -50.37 -45.63 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.757 0.823 . . . . 0.0 110.449 174.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -69.2 -41.44 77.11 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.28 -41.89 99.05 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.61 1.164 . . . . 0.0 111.007 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.3 mt -72.5 -38.54 68.09 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.147 0.979 . . . . 0.0 112.154 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -58.23 -39.94 80.42 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.925 -0.484 . . . . 0.0 112.006 172.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -68.69 -36.46 78.53 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.655 0.782 . . . . 0.0 112.43 172.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -84.66 -4.23 58.91 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -174.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.89 36.26 3.75 Favored Glycine 0 N--CA 1.474 1.179 0 C-N-CA 124.597 1.094 . . . . 0.0 114.681 170.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -102.29 138.09 39.68 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.24 1.416 . . . . 0.0 109.205 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -75.8 140.06 42.12 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.917 0.487 . . . . 0.0 111.895 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -63.23 -23.55 67.48 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -84.25 -17.15 40.68 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 mt -98.25 -13.93 20.55 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.43 1.092 . . . . 0.0 112.748 172.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.7 tpp -51.59 -44.0 62.65 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.432 1.493 . . . . 0.0 112.997 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -54.8 -50.12 69.32 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.127 0.971 . . . . 0.0 112.326 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.92 -43.34 99.05 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.643 1.177 . . . . 0.0 110.916 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -66.62 -51.08 60.31 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.139 0.976 . . . . 0.0 112.87 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -65.78 -33.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.452 1.024 . . . . 0.0 111.796 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 t -71.01 -42.4 69.62 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.54 0.609 . . . . 0.0 111.733 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tt -55.64 -52.66 63.05 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.465 1.106 . . . . 0.0 110.279 170.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -60.09 -42.16 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.823 0.849 . . . . 0.0 111.851 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.66 -39.54 94.23 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 176.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -82.92 -13.17 56.57 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -94.58 -60.26 1.75 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.529 1.131 . . . . 0.0 112.047 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -112.41 -9.51 13.83 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -172.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m 66.87 22.34 10.22 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.406 1.482 . . . . 0.0 113.056 -169.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 72.65 27.66 2.26 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.826 1.65 . . . . 0.0 112.205 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -119.1 118.63 31.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.131 1.373 . . . . 0.0 111.203 -176.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -68.63 -26.13 65.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 119.14 -0.457 . . . . 0.0 111.885 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -77.7 -5.68 51.35 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -71.7 143.77 49.55 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.994 -1.066 . . . . 0.0 112.431 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 74.5 p -144.44 160.55 40.89 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.844 1.658 . . . . 0.0 111.819 174.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -149.49 131.85 15.61 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.246 1.418 . . . . 0.0 111.083 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.2 m -89.57 148.5 23.33 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.914 1.286 . . . . 0.0 110.382 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -115.47 158.36 22.66 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.628 1.571 . . . . 0.0 111.695 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.91 -24.6 67.92 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.582 1.153 . . . . 0.0 113.7 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -73.85 -13.9 60.99 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.112 1.365 . . . . 0.0 113.859 174.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.63 -1.36 68.78 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.384 1.469 . . . . 0.0 114.065 -175.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.6 p -78.27 161.37 27.31 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.3 1.05 . . . . 0.0 111.479 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -131.75 153.2 50.32 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.542 1.137 . . . . 0.0 110.727 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -102.21 143.99 31.31 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.367 1.867 . . . . 0.0 109.799 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -141.78 145.76 35.13 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.553 1.141 . . . . 0.0 113.456 -170.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.62 -175.5 53.24 Favored Glycine 0 N--CA 1.467 0.753 0 CA-C-O 122.054 0.808 . . . . 0.0 114.14 170.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -20.68 66.5 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -168.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -108.22 9.6 28.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.557 1.143 . . . . 0.0 111.677 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 50.72 56.54 7.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.782 1.633 . . . . 0.0 111.555 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.1 mt -81.23 132.37 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 125.608 1.563 . . . . 0.0 109.469 -171.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.09 137.15 35.57 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.501 0.667 . . . . 0.0 112.68 -170.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -66.22 -12.14 54.31 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -81.59 -26.55 34.83 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.529 1.132 . . . . 0.0 112.558 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -123.74 -34.46 3.03 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 -167.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -134.35 -37.3 0.87 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -167.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.4 p -108.94 162.21 14.43 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.13 0.972 . . . . 0.0 112.684 169.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.8 t -105.25 131.72 52.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.308 1.443 . . . . 0.0 111.82 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.21 -8.08 59.64 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 174.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.55 -161.89 20.05 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.83 1.205 . . . . 0.0 113.71 -170.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.98 -3.02 42.91 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.344 1.058 . . . . 0.0 113.743 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.3 p -157.41 154.67 26.07 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 125.836 1.654 . . . . 0.0 111.328 -172.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -69.77 152.76 69.36 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.436 2.757 . . . . 0.0 110.602 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.86 69.22 0.04 OUTLIER Glycine 0 N--CA 1.472 1.086 0 N-CA-C 114.317 0.487 . . . . 0.0 114.317 -171.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -149.64 -178.13 6.26 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.103 2.161 . . . . 0.0 110.425 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.64 -25.86 60.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.815 1.246 . . . . 0.0 113.554 172.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.3 m -103.33 -1.69 28.29 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.2 t30 52.31 54.23 11.07 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.882 1.673 . . . . 0.0 113.112 172.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.1 p -149.86 146.0 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.708 1.203 . . . . 0.0 111.161 -172.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -99.07 137.79 37.1 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.804 1.642 . . . . 0.0 110.848 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 68.0 m -51.16 -36.93 43.5 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.043 1.337 . . . . 0.0 113.923 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -70.13 -31.43 68.95 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -72.05 -11.4 60.74 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.621 -1.3 . . . . 0.0 112.307 173.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.5 mt -80.98 -15.36 56.44 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.472 -0.767 . . . . 0.0 112.399 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 mt -94.99 7.68 45.29 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.488 1.515 . . . . 0.0 112.99 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.4 t -80.67 -178.37 6.73 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.486 1.514 . . . . 0.0 112.11 -177.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -92.67 11.41 26.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.608 1.563 . . . . 0.0 113.781 -170.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -135.12 126.64 28.72 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.352 1.861 . . . . 0.0 108.147 169.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.3 pt -69.58 -14.14 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.263 1.025 . . . . 0.0 113.03 -174.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.0 t -54.44 -36.13 63.71 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.361 1.464 . . . . 0.0 114.007 -169.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.9 -32.74 73.15 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.263 -0.898 . . . . 0.0 112.235 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.17 -39.29 15.63 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.752 1.221 . . . . 0.0 111.626 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.71 85.07 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.182 0.993 . . . . 0.0 113.239 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.47 -32.94 73.29 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.819 -1.176 . . . . 0.0 112.416 175.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 45.3 t -66.45 -40.04 89.19 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.747 0.819 . . . . 0.0 110.915 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.95 83.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.209 1.004 . . . . 0.0 112.844 172.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -62.97 -42.36 99.81 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.613 1.551 . . . . 0.0 112.591 170.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.58 -24.3 67.05 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.437 -0.79 . . . . 0.0 112.856 176.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 91.9 mt -76.74 -48.63 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.484 -0.76 . . . . 0.0 110.548 168.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.05 -28.73 58.68 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.931 1.292 . . . . 0.0 113.755 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -56.44 -25.36 50.29 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.614 1.566 . . . . 0.0 114.945 170.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.4 mtt85 -115.4 -32.98 5.43 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.786 1.634 . . . . 0.0 112.79 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -145.08 82.47 1.66 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.829 2.052 . . . . 0.0 110.119 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.578 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -42.24 -43.49 3.44 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 126.157 1.783 . . . . 0.0 114.171 -171.645 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -145.69 -3.57 0.7 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.547 1.939 . . . . 0.0 112.773 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.51 -15.75 59.8 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.329 1.852 . . . . 0.0 113.88 -167.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.99 -5.7 52.12 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.977 1.311 . . . . 0.0 113.808 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.5 m-90 -118.63 146.12 44.9 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.501 1.52 . . . . 0.0 112.419 -174.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -90.4 -39.88 12.39 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.98 0.912 . . . . 0.0 113.36 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.4 -29.14 73.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 123.687 0.66 . . . . 0.0 112.37 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -66.56 -44.66 81.71 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -82.22 -17.86 44.61 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -94.19 -24.58 17.45 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -131.72 -45.54 0.97 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.5 m -70.46 -7.24 41.88 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -172.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -74.79 -24.89 58.72 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.068 0.947 . . . . 0.0 112.523 173.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.14 -46.96 3.99 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.132 0.873 . . . . 0.0 113.02 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.5 m -153.18 142.63 21.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.868 1.267 . . . . 0.0 111.672 -173.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.6 mt -118.95 149.73 47.28 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.641 1.576 . . . . 0.0 110.945 171.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.67 161.18 40.01 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.729 2.953 . . . . 0.0 111.276 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -78.83 149.73 32.46 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.869 0.867 . . . . 0.0 112.123 172.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 44.6 pt -131.36 -4.0 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 126.551 1.94 . . . . 0.0 113.279 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.2 m -70.16 -9.5 55.84 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.702 -1.249 . . . . 0.0 113.903 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.1 p -85.46 -10.3 56.32 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.823 1.649 . . . . 0.0 113.918 169.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.0 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.905 1.682 . . . . 0.0 112.282 -174.755 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.338 0 N-CA-C 112.126 -0.389 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -157.81 166.82 31.71 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.228 1.811 . . . . 0.0 112.706 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.4 m -110.43 137.12 48.56 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.096 1.358 . . . . 0.0 110.502 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -102.98 159.82 15.17 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.768 1.627 . . . . 0.0 111.396 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.5 t -101.26 163.82 12.09 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.374 1.47 . . . . 0.0 108.304 166.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -58.1 -48.03 81.42 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.938 0.79 . . . . 0.0 112.008 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.65 -38.13 83.81 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.629 -0.669 . . . . 0.0 112.797 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.58 -47.2 86.36 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 123.913 0.768 . . . . 0.0 111.557 174.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.9 tp -64.29 -47.13 80.67 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.917 -1.039 . . . . 0.0 112.149 176.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.2 t -49.39 -46.17 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 119.419 1.008 . . . . 0.0 110.421 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -69.77 -42.5 73.75 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.974 0.91 . . . . 0.0 113.153 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.11 -37.84 88.77 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.417 1.087 . . . . 0.0 111.869 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.2 mt -74.02 -38.15 64.14 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.573 0.749 . . . . 0.0 112.026 174.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.84 -39.31 80.87 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 121.912 -0.493 . . . . 0.0 111.836 171.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -66.17 -31.19 71.88 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.637 1.175 . . . . 0.0 112.783 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -97.09 5.46 50.25 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.431 1.492 . . . . 0.0 114.621 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.81 37.48 6.4 Favored Glycine 0 N--CA 1.472 1.097 0 C-N-CA 124.32 0.962 . . . . 0.0 114.481 171.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -101.34 137.78 39.22 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.908 1.283 . . . . 0.0 109.503 172.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -77.23 140.49 40.11 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.551 0.74 . . . . 0.0 111.596 -173.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -64.75 -24.3 67.52 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -82.24 -15.99 51.15 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.959 0.904 . . . . 0.0 113.38 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.8 mt -98.22 -19.32 17.92 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.813 1.245 . . . . 0.0 112.283 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.1 tpp -49.43 -45.32 46.25 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.108 1.763 . . . . 0.0 113.484 -174.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -56.73 -43.97 81.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.231 1.012 . . . . 0.0 113.045 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -65.53 -47.17 76.82 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.173 0.589 . . . . 0.0 110.943 173.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -62.05 -49.02 77.64 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.518 0.727 . . . . 0.0 112.843 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 m -66.51 -36.59 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.299 0.954 . . . . 0.0 111.709 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -68.58 -38.96 81.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.727 0.694 . . . . 0.0 111.878 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.78 -52.71 63.11 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.39 1.476 . . . . 0.0 110.598 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.01 -38.69 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.574 -0.704 . . . . 0.0 112.082 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -68.79 -31.13 69.91 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.569 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -34.79 60.54 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.826 1.194 . . . . 0.0 111.651 173.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -76.98 -69.06 0.55 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.247 1.019 . . . . 0.0 111.296 -173.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.7 p -107.89 -10.91 15.45 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -175.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.4 m 68.34 28.59 6.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.689 1.595 . . . . 0.0 111.802 -168.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 67.96 34.34 4.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.375 1.87 . . . . 0.0 112.65 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -117.93 113.97 22.5 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.805 0.842 . . . . 0.0 111.804 -177.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 p -69.02 -26.57 65.06 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 122.318 -0.238 . . . . 0.0 111.441 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.0 m -73.81 -6.33 46.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.357 1.063 . . . . 0.0 113.681 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -76.08 143.34 41.39 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.218 -0.926 . . . . 0.0 112.889 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.2 p -148.75 161.49 41.67 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.177 2.191 . . . . 0.0 110.494 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -158.61 131.45 7.14 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.238 1.015 . . . . 0.0 111.755 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m -82.51 135.79 35.03 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.34 1.056 . . . . 0.0 110.178 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -91.75 158.53 16.31 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.018 1.327 . . . . 0.0 111.907 178.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -63.8 -22.22 66.8 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.29 1.036 . . . . 0.0 113.429 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -93.41 8.03 42.14 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.672 1.589 . . . . 0.0 113.892 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.04 -7.23 82.01 Favored Glycine 0 N--CA 1.477 1.411 0 C-N-CA 125.311 1.434 . . . . 0.0 115.608 172.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.0 p -77.53 173.24 12.22 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.842 1.257 . . . . 0.0 111.622 169.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -130.85 164.99 23.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.686 1.194 . . . . 0.0 110.803 174.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.28 150.78 26.85 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.815 1.646 . . . . 0.0 110.315 169.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -145.77 143.02 29.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.353 1.461 . . . . 0.0 113.235 -172.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.32 -178.96 51.06 Favored Glycine 0 N--CA 1.468 0.784 0 O-C-N 121.537 -0.727 . . . . 0.0 114.812 169.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.96 -28.34 68.91 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 115.724 1.75 . . . . 0.0 115.724 -168.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -101.87 8.24 41.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.388 1.075 . . . . 0.0 111.992 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 56.94 54.28 7.22 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.012 1.725 . . . . 0.0 110.659 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.9 mt -84.5 137.2 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.276 1.83 . . . . 0.0 110.684 -169.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -98.02 141.28 31.17 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -172.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -67.81 -9.93 48.49 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -102.7 -3.1 27.03 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.057 1.743 . . . . 0.0 112.796 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -132.55 -39.31 1.01 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 -169.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -144.29 -40.59 0.27 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -168.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 p -104.5 167.73 9.55 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.936 0.895 . . . . 0.0 112.47 169.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.64 139.84 51.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.935 1.294 . . . . 0.0 112.253 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -100.88 -8.4 22.58 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -170.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.08 -154.55 9.68 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.409 1.004 . . . . 0.0 112.944 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.43 -1.27 26.24 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.6 p -158.79 155.87 25.7 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.178 1.391 . . . . 0.0 112.299 -171.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -71.41 159.35 51.81 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.494 2.796 . . . . 0.0 110.669 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.69 71.16 0.03 OUTLIER Glycine 0 N--CA 1.472 1.082 0 O-C-N 121.905 -0.497 . . . . 0.0 114.093 -175.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -151.82 -178.3 6.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.247 2.219 . . . . 0.0 110.649 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.2 -24.63 67.33 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.081 0.952 . . . . 0.0 113.101 175.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.84 -4.11 31.14 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.895 1.278 . . . . 0.0 114.061 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 51.32 53.0 13.66 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.09 1.756 . . . . 0.0 113.349 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.1 p -150.36 142.56 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.546 1.138 . . . . 0.0 111.326 -171.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -92.85 135.58 34.01 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.327 1.451 . . . . 0.0 111.263 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.4 m -48.1 -37.77 16.07 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.222 1.809 . . . . 0.0 114.213 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -72.25 -30.41 64.85 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.75 -20.88 64.39 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.745 -1.222 . . . . 0.0 112.281 174.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.45 -14.85 61.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.626 0.77 . . . . 0.0 112.604 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.2 mt -95.0 7.39 46.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.56 1.544 . . . . 0.0 113.1 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.4 p -78.05 176.73 8.91 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.155 1.382 . . . . 0.0 112.271 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.94 -4.04 57.75 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.605 1.562 . . . . 0.0 114.861 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -116.91 123.93 48.21 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.283 1.433 . . . . 0.0 109.253 169.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.5 pt -66.59 -14.68 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.276 1.03 . . . . 0.0 113.223 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.7 t -53.33 -35.49 60.27 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.434 1.494 . . . . 0.0 114.316 -169.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -61.87 -35.62 78.85 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.577 -0.702 . . . . 0.0 111.865 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.05 -38.35 17.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.131 1.372 . . . . 0.0 111.804 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.36 -42.03 79.77 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.436 1.094 . . . . 0.0 113.042 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -67.76 -32.71 73.49 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.746 -1.221 . . . . 0.0 112.212 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.99 -38.24 82.44 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.744 0.818 . . . . 0.0 111.101 170.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.77 88.37 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.145 0.978 . . . . 0.0 112.739 171.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -61.77 -42.41 98.95 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.343 1.429 . . . . 0.0 112.164 169.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.05 -22.51 64.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.737 0.815 . . . . 0.0 113.08 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 85.3 mt -78.13 -45.17 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.494 -0.753 . . . . 0.0 110.22 168.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -30.25 63.14 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.777 1.231 . . . . 0.0 113.464 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -58.1 -28.58 64.75 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.703 1.601 . . . . 0.0 114.171 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -98.04 -44.07 6.79 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.727 1.611 . . . . 0.0 110.891 176.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -151.16 98.68 2.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.29 2.236 . . . . 0.0 110.485 -174.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -51.86 -40.91 61.36 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -170.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -143.84 -13.4 0.65 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.062 1.345 . . . . 0.0 113.636 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.57 -13.95 62.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.84 1.256 . . . . 0.0 114.038 -172.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.23 -7.54 47.54 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.57 1.148 . . . . 0.0 113.989 174.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 -125.24 124.7 42.25 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.377 1.471 . . . . 0.0 111.164 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -71.77 -38.89 70.28 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -167.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.57 -22.1 74.92 Favored Glycine 0 N--CA 1.474 1.191 0 C-N-CA 123.886 0.755 . . . . 0.0 113.616 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -66.64 -43.55 84.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.603 1.202 . . . . 0.0 111.129 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -86.33 -15.36 40.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -98.8 -31.09 12.05 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -127.2 -42.46 1.7 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -171.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.6 m -72.38 -7.77 51.46 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -73.62 -22.89 59.87 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.992 0.917 . . . . 0.0 112.854 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.64 -33.13 31.68 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 118.769 0.713 . . . . 0.0 113.576 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 m -172.41 143.16 1.37 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 127.288 2.235 . . . . 0.0 110.378 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -110.94 149.42 40.4 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.05 1.34 . . . . 0.0 110.847 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -70.12 148.33 62.49 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.418 2.745 . . . . 0.0 110.632 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -77.3 146.91 36.53 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 122.274 1.035 . . . . 0.0 111.424 171.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.4 pt -130.39 0.81 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.826 2.05 . . . . 0.0 112.641 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.3 m -61.8 -17.89 57.88 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -173.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.1 m -85.78 -6.97 59.03 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.116 1.367 . . . . 0.0 113.837 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.724 1.61 . . . . 0.0 111.96 -176.216 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -155.4 166.48 33.42 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.755 1.622 . . . . 0.0 112.564 -173.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.7 m -109.14 134.64 51.45 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.698 1.199 . . . . 0.0 110.731 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -101.75 156.5 17.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.47 1.908 . . . . 0.0 110.527 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -95.85 161.13 14.14 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.819 1.248 . . . . 0.0 108.577 168.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.19 -45.94 79.6 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.449 1.022 . . . . 0.0 111.876 -175.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.17 -38.13 82.27 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.05 -44.55 60.54 Favored Glycine 0 N--CA 1.468 0.796 0 C-N-CA 124.058 0.837 . . . . 0.0 111.576 176.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.54 -49.81 73.84 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.15 1.38 . . . . 0.0 111.955 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.2 t -50.04 -45.15 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.859 0.863 . . . . 0.0 110.491 174.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -69.42 -43.38 73.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.223 1.009 . . . . 0.0 113.709 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.84 -38.44 90.79 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.824 1.25 . . . . 0.0 111.365 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.2 mt -74.21 -42.15 60.23 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.987 0.915 . . . . 0.0 111.993 175.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -55.68 -42.84 75.71 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.582 0.628 . . . . 0.0 111.67 172.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -63.55 -39.35 94.17 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.43 1.892 . . . . 0.0 112.258 172.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -84.94 8.9 16.0 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.322 1.449 . . . . 0.0 114.365 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.34 25.79 27.47 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.902 1.239 . . . . 0.0 115.226 169.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -87.88 139.64 30.31 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.676 1.238 . . . . 0.0 109.89 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -75.64 136.62 40.44 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.763 0.825 . . . . 0.0 111.859 -175.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.38 -27.72 67.65 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -78.94 -19.61 51.32 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.8 mt -96.9 -19.0 19.14 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.796 1.238 . . . . 0.0 112.33 175.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.6 tpp -47.95 -45.46 31.16 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.345 1.858 . . . . 0.0 113.203 -175.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -56.74 -46.95 81.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.3 1.04 . . . . 0.0 113.118 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -63.92 -44.24 93.51 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.399 0.545 . . . . 0.0 111.192 174.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -64.17 -49.18 73.07 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.574 0.749 . . . . 0.0 112.969 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 m -66.69 -33.51 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 119.224 0.92 . . . . 0.0 111.834 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.4 t -71.35 -43.21 67.39 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.408 0.549 . . . . 0.0 111.893 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -53.46 -53.92 44.41 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.494 1.517 . . . . 0.0 110.345 169.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.95 -42.37 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.762 0.825 . . . . 0.0 111.89 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -63.71 -35.12 79.52 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -85.15 -18.35 34.43 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -88.19 -61.2 1.77 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.028 0.931 . . . . 0.0 111.877 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.3 p -113.5 -8.62 13.35 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m 61.2 30.83 19.48 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.409 1.084 . . . . 0.0 112.69 -169.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 mtm-85 73.25 28.5 1.82 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.079 1.752 . . . . 0.0 112.558 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -119.92 117.5 28.26 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.492 1.517 . . . . 0.0 111.427 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.8 p -69.36 -24.76 63.93 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 119.019 -0.515 . . . . 0.0 112.287 -178.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -78.82 -4.48 49.68 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -73.1 143.08 47.5 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.995 -1.065 . . . . 0.0 112.938 -172.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.6 p -142.57 151.62 41.74 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.095 1.758 . . . . 0.0 111.826 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -145.73 131.84 19.36 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.715 1.606 . . . . 0.0 110.487 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.2 m -104.56 144.34 31.83 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.227 1.411 . . . . 0.0 110.518 -173.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -113.6 161.42 17.45 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.698 1.599 . . . . 0.0 112.403 -172.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -61.4 -25.67 67.34 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.901 1.28 . . . . 0.0 113.939 -176.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -81.01 -5.73 57.94 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.17 0.43 80.48 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.923 1.249 . . . . 0.0 114.293 -175.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.2 p -79.21 158.57 27.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.691 1.197 . . . . 0.0 111.724 170.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -136.68 148.49 47.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.685 1.194 . . . . 0.0 110.927 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -101.95 140.58 36.04 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.464 1.905 . . . . 0.0 110.207 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -138.71 150.84 46.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.975 1.31 . . . . 0.0 112.918 -169.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.12 -178.39 49.24 Favored Glycine 0 N--CA 1.468 0.823 0 O-C-N 121.449 -0.782 . . . . 0.0 113.944 171.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -24.61 67.87 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -169.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -102.06 5.35 40.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.313 1.045 . . . . 0.0 111.95 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 50.36 63.82 2.05 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.037 1.735 . . . . 0.0 111.261 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.407 ' CG2' ' HB2' ' A' ' 61' ' ' TRP . 10.5 mt -86.57 131.99 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.595 1.558 . . . . 0.0 109.774 -173.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -90.82 138.7 31.38 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -67.75 -13.0 61.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -86.57 -26.05 24.69 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.876 0.871 . . . . 0.0 112.635 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -115.97 -35.01 4.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.744 2.128 . . . . 0.0 116.744 -167.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.407 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 57.1 m95 -140.69 -34.04 0.53 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -167.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.3 p -111.1 163.51 13.8 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.448 1.022 . . . . 0.0 112.683 168.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.2 t -106.82 133.93 50.74 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.751 1.621 . . . . 0.0 111.886 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.96 -8.45 59.16 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 175.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.98 -160.52 18.31 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.905 1.241 . . . . 0.0 114.372 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.19 -9.15 59.49 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.261 1.024 . . . . 0.0 113.665 176.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.2 m -146.19 152.64 47.36 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.886 1.674 . . . . 0.0 111.154 -176.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -66.8 154.69 73.65 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.366 2.711 . . . . 0.0 110.487 169.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.46 69.51 0.04 OUTLIER Glycine 0 N--CA 1.473 1.11 0 N-CA-C 114.723 0.649 . . . . 0.0 114.723 -171.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -150.3 -177.46 5.96 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.058 2.143 . . . . 0.0 110.517 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -58.32 -26.06 62.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.605 1.162 . . . . 0.0 113.183 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 52.9 m -102.04 -3.26 27.94 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.081 1.352 . . . . 0.0 114.477 176.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.5 t30 51.73 54.91 10.14 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.799 1.64 . . . . 0.0 113.334 173.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.3 p -150.55 148.03 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.018 1.327 . . . . 0.0 110.813 -173.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -102.44 137.99 39.95 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.574 1.549 . . . . 0.0 111.347 -177.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 67.3 m -51.19 -37.51 47.01 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.608 1.563 . . . . 0.0 114.267 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.2 t -71.24 -32.31 68.61 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.57 -15.24 62.27 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.823 -1.173 . . . . 0.0 112.617 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.94 -13.94 60.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.803 0.841 . . . . 0.0 112.687 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.6 mt -93.98 9.87 35.78 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.449 1.5 . . . . 0.0 112.769 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.1 p -75.46 174.83 9.12 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.745 1.618 . . . . 0.0 112.135 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -88.94 8.07 31.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.785 1.234 . . . . 0.0 113.842 -173.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -132.33 125.92 32.07 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.877 1.671 . . . . 0.0 107.854 168.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.9 pt -66.03 -12.54 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 124.934 1.294 . . . . 0.0 113.389 -173.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -53.91 -35.44 61.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.002 1.721 . . . . 0.0 114.728 -169.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -63.47 -34.75 78.46 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.302 0.956 . . . . 0.0 112.221 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.81 -39.41 20.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.551 1.14 . . . . 0.0 111.317 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.5 87.92 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.19 0.996 . . . . 0.0 113.474 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -68.12 -34.12 75.79 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.955 -1.091 . . . . 0.0 112.371 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.2 t -67.38 -39.21 85.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.598 0.759 . . . . 0.0 111.074 170.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.62 76.0 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.12 0.968 . . . . 0.0 112.733 172.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -64.35 -44.02 92.78 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.454 1.479 . . . . 0.0 112.677 170.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -66.39 -24.71 66.52 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.554 -0.716 . . . . 0.0 112.719 176.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 91.2 mt -74.47 -49.1 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.655 -0.653 . . . . 0.0 110.083 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -30.36 63.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.745 1.218 . . . . 0.0 113.671 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -56.5 -26.5 54.63 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.928 1.691 . . . . 0.0 114.387 169.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -110.48 -33.86 6.48 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.394 1.878 . . . . 0.0 112.272 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -152.31 86.95 1.3 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.774 2.43 . . . . 0.0 110.398 -173.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -49.25 -42.42 40.66 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -170.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -140.09 -4.31 1.35 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.271 1.428 . . . . 0.0 112.793 169.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -12.65 60.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.358 1.863 . . . . 0.0 114.102 -168.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.31 -8.06 59.68 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.548 1.139 . . . . 0.0 113.578 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.9 m-90 -119.35 117.84 29.6 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.535 1.134 . . . . 0.0 113.297 -171.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.414 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . 1.1 m-85 -63.74 -35.1 79.48 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.267 1.827 . . . . 0.0 112.104 176.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.33 -16.89 67.74 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.424 1.488 . . . . 0.0 112.841 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -94.65 -47.55 6.46 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.268 1.027 . . . . 0.0 112.488 171.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 104' ' ' TYR . 19.2 ptpt -70.62 -17.31 62.89 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -98.77 -8.04 26.6 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -137.75 -39.92 0.56 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -170.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.5 m -76.88 -1.64 29.43 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -176.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -84.64 -21.53 30.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.32 1.048 . . . . 0.0 112.795 -174.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.23 -52.55 1.72 Allowed Glycine 0 N--CA 1.471 1.023 0 C-N-CA 124.585 1.088 . . . . 0.0 112.637 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.0 m -153.36 150.65 29.08 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.402 1.481 . . . . 0.0 111.471 -173.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.3 mt -118.93 152.68 52.06 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.345 1.458 . . . . 0.0 111.828 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -68.93 148.61 70.79 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.782 2.988 . . . . 0.0 110.701 173.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -78.88 149.55 32.41 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 122.399 1.095 . . . . 0.0 111.855 172.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.4 pt -133.19 1.05 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 127.094 2.158 . . . . 0.0 112.765 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.4 m -63.66 -12.39 33.52 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -173.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.6 p -88.63 -9.95 50.35 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.065 1.746 . . . . 0.0 114.108 172.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.2 m . . . . . 0 C--O 1.251 1.159 0 C-N-CA 126.078 1.751 . . . . 0.0 112.354 -175.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.079 0 CA-C-O 121.333 0.407 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.41 165.93 34.9 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.131 1.773 . . . . 0.0 112.418 -172.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m -114.74 132.51 56.41 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.691 1.197 . . . . 0.0 110.763 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.68 160.41 14.33 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.679 1.592 . . . . 0.0 111.628 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 t -101.05 165.16 11.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.418 1.487 . . . . 0.0 108.458 166.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -58.18 -49.56 76.6 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.204 0.911 . . . . 0.0 112.033 -173.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.52 -38.03 83.07 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.39 -48.17 81.05 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 123.96 0.79 . . . . 0.0 111.476 174.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.45 -47.22 79.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.336 1.054 . . . . 0.0 112.325 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.0 t -49.59 -46.46 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.302 0.955 . . . . 0.0 110.305 174.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -69.68 -41.0 76.05 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.031 0.932 . . . . 0.0 113.103 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.12 -42.68 99.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.245 1.018 . . . . 0.0 111.13 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.2 mt -71.97 -37.68 69.85 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.893 0.877 . . . . 0.0 112.123 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -58.95 -42.64 90.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.3 0.64 . . . . 0.0 111.99 172.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -66.3 -34.87 78.97 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.594 0.758 . . . . 0.0 112.321 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -85.37 -1.4 56.97 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.19 18.71 18.71 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.122 1.344 . . . . 0.0 115.383 169.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -77.76 161.18 27.89 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.754 1.277 . . . . 0.0 112.17 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -82.92 125.07 30.96 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.659 1.583 . . . . 0.0 110.319 -172.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -66.7 -22.79 66.07 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -85.16 -14.21 47.67 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.159 0.983 . . . . 0.0 113.581 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.77 -9.24 19.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.306 1.042 . . . . 0.0 113.208 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.5 tpp -48.73 -43.16 37.17 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.087 1.355 . . . . 0.0 113.155 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -55.33 -51.27 67.28 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.378 1.071 . . . . 0.0 112.692 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -61.93 -42.09 98.7 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.426 0.691 . . . . 0.0 111.625 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -63.75 -50.87 67.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.451 0.7 . . . . 0.0 112.394 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.6 m -66.91 -34.47 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.016 0.825 . . . . 0.0 111.728 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.21 -34.63 71.03 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.854 0.686 . . . . 0.0 112.854 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.67 -55.18 25.44 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.9 1.68 . . . . 0.0 109.849 169.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -62.13 -40.9 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.705 0.802 . . . . 0.0 112.038 -175.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.12 -41.77 99.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.925 0.49 . . . . 0.0 112.226 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.14 -32.64 69.23 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.794 -1.191 . . . . 0.0 113.249 175.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -77.75 -61.94 1.83 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.736 0.815 . . . . 0.0 112.077 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 97.3 p -113.86 -6.24 13.23 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -175.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.8 m 64.38 26.24 13.53 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.889 1.276 . . . . 0.0 112.366 -168.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 66.38 33.11 7.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.926 1.69 . . . . 0.0 112.774 -176.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -114.05 116.24 28.86 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.917 1.287 . . . . 0.0 111.089 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -69.99 -25.98 63.86 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 119.122 -0.466 . . . . 0.0 112.054 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -76.62 -3.04 35.64 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.362 0.983 . . . . 0.0 113.331 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -75.11 144.03 43.07 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.169 0.988 . . . . 0.0 112.884 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.4 p -146.05 159.69 42.92 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.946 2.098 . . . . 0.0 110.862 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -153.66 128.97 9.79 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.637 0.775 . . . . 0.0 111.88 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -88.37 143.1 27.21 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.372 1.469 . . . . 0.0 110.946 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -104.12 159.6 15.54 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.875 1.27 . . . . 0.0 112.019 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -57.35 -31.03 65.33 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.71 1.204 . . . . 0.0 114.111 175.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -68.51 -17.06 64.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.477 1.911 . . . . 0.0 114.455 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.34 -1.25 69.4 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.952 1.263 . . . . 0.0 114.173 -173.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.2 p -77.84 168.04 20.56 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.582 1.553 . . . . 0.0 111.041 169.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -146.21 145.87 30.59 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.292 1.037 . . . . 0.0 111.655 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.71 150.31 20.51 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.605 1.562 . . . . 0.0 111.129 172.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -144.8 147.78 33.28 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.207 1.803 . . . . 0.0 112.957 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.51 -177.86 52.39 Favored Glycine 0 N--CA 1.467 0.762 0 CA-C-O 122.241 0.912 . . . . 0.0 115.114 169.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -27.88 69.6 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -169.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.17 9.54 41.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.03 0.932 . . . . 0.0 111.456 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 54.41 54.74 8.97 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.356 1.462 . . . . 0.0 110.318 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.4 mt -84.47 129.18 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.43 1.492 . . . . 0.0 110.085 -169.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -94.05 137.38 33.32 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -170.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -66.32 -12.55 57.24 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -176.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -85.81 -15.93 40.38 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.8 1.24 . . . . 0.0 113.006 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -132.9 -34.17 1.13 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -166.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -136.67 -41.95 0.61 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -167.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.5 p -106.37 165.49 11.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.876 0.87 . . . . 0.0 112.141 168.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -116.93 137.57 52.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.542 1.137 . . . . 0.0 112.544 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.83 -8.09 56.37 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -173.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.8 -164.8 16.46 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.603 1.097 . . . . 0.0 113.098 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.47 -8.75 58.87 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m -140.68 153.13 67.64 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 126.133 1.773 . . . . 0.0 110.961 -176.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -69.89 162.5 41.91 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.66 2.907 . . . . 0.0 111.313 173.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.16 72.51 0.03 OUTLIER Glycine 0 N--CA 1.473 1.151 0 N-CA-C 114.393 0.517 . . . . 0.0 114.393 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -153.2 -178.03 6.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.361 2.264 . . . . 0.0 110.578 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.38 -23.06 66.6 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.261 1.025 . . . . 0.0 113.12 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.7 m -101.9 -1.96 30.91 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 173.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.4 t30 52.18 53.93 11.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.992 1.717 . . . . 0.0 113.209 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.3 p -149.79 148.95 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.633 1.173 . . . . 0.0 111.447 -172.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -102.37 134.78 45.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.121 1.769 . . . . 0.0 111.37 -175.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.7 m -51.15 -37.41 46.12 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.523 1.529 . . . . 0.0 113.873 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -71.76 -32.57 67.82 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -73.83 -7.77 53.5 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.753 -1.217 . . . . 0.0 112.398 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.7 mt -81.23 -14.22 57.71 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.417 -0.802 . . . . 0.0 112.648 169.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.4 mt -95.06 6.12 49.97 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.122 1.369 . . . . 0.0 113.382 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 t -79.43 -179.52 6.85 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.611 1.564 . . . . 0.0 112.134 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -91.95 11.34 25.42 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.704 1.601 . . . . 0.0 113.726 -170.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -133.81 125.79 29.2 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.287 1.835 . . . . 0.0 108.352 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.6 pt -69.09 -14.89 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.242 1.017 . . . . 0.0 113.173 -175.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.6 t -54.94 -34.25 63.03 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.0 1.32 . . . . 0.0 114.005 -169.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.62 -35.45 79.61 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.274 -0.891 . . . . 0.0 112.161 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.64 -38.74 21.14 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.348 1.059 . . . . 0.0 111.483 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.34 78.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.276 1.031 . . . . 0.0 113.286 -175.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -67.02 -35.14 79.26 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.87 -1.144 . . . . 0.0 112.228 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.9 t -66.68 -38.96 87.86 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.849 0.86 . . . . 0.0 110.984 172.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.23 77.34 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.128 0.971 . . . . 0.0 112.69 173.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -63.44 -43.85 96.22 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.053 1.297 . . . . 0.0 112.202 171.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -68.56 -21.72 64.52 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.41 -0.806 . . . . 0.0 113.066 176.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 90.9 mt -76.24 -46.0 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.131 -0.98 . . . . 0.0 110.202 168.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -30.57 64.06 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.519 1.128 . . . . 0.0 113.382 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -58.75 -28.31 65.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.643 1.577 . . . . 0.0 114.29 169.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -97.22 -43.96 7.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.5 1.52 . . . . 0.0 110.967 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -151.49 99.93 2.67 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.179 2.191 . . . . 0.0 110.386 -175.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -51.11 -41.04 59.77 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -170.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -142.18 -15.67 0.77 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.766 1.226 . . . . 0.0 113.733 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.01 -13.39 61.6 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -171.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.52 -11.2 60.77 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.16 0.984 . . . . 0.0 113.55 170.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 24.6 m-90 -118.67 110.46 17.33 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.581 1.552 . . . . 0.0 111.485 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -54.29 -37.22 64.53 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.263 -1.335 . . . . 0.0 112.588 169.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -70.06 -8.73 62.06 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.64 1.114 . . . . 0.0 114.537 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -84.6 -61.26 1.83 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.136 1.468 . . . . 0.0 109.354 167.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -66.22 -9.76 35.3 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -70.79 -31.38 68.12 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.255 -0.903 . . . . 0.0 112.923 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.96 -18.17 0.12 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 118.208 2.67 . . . . 0.0 118.208 -168.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 98.7 m -71.4 -32.39 68.36 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.268 1.395 . . . . 0.0 113.288 -172.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -74.25 -11.24 60.22 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.297 1.439 . . . . 0.0 113.581 170.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.26 -48.33 4.86 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.705 1.145 . . . . 0.0 111.506 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 t -166.5 148.67 6.63 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.878 1.271 . . . . 0.0 112.08 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.8 mt -114.76 150.37 43.93 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 125.658 1.583 . . . . 0.0 111.833 174.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -72.46 156.75 53.99 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.87 3.046 . . . . 0.0 111.396 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -79.13 139.32 38.07 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.741 0.816 . . . . 0.0 111.332 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 41.6 pt -128.39 -1.3 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.2 1.8 . . . . 0.0 113.044 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.4 p -66.46 -14.49 62.3 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -172.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 55.6 m -83.88 -7.28 59.47 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.961 1.304 . . . . 0.0 113.819 170.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.688 1.595 . . . . 0.0 112.01 -176.177 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -159.27 -179.83 8.33 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.085 2.154 . . . . 0.0 111.741 -172.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.8 m -139.62 142.03 37.07 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.544 1.138 . . . . 0.0 111.148 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -114.59 158.52 21.59 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.809 1.643 . . . . 0.0 112.032 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 t -102.99 163.24 12.32 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.609 1.564 . . . . 0.0 107.875 166.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -57.5 -45.34 85.04 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.285 0.948 . . . . 0.0 111.901 -174.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.9 m -62.36 -28.65 69.91 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.19 -48.47 9.57 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 124.373 0.987 . . . . 0.0 111.279 173.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.25 -47.65 83.45 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.538 1.135 . . . . 0.0 112.232 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -50.76 -44.95 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.155 0.889 . . . . 0.0 110.576 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -69.71 -43.69 71.89 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.168 0.987 . . . . 0.0 113.122 177.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.0 -42.01 93.34 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.718 1.207 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt -73.61 -40.96 63.44 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.152 0.981 . . . . 0.0 112.194 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -55.6 -40.57 72.25 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.953 0.501 . . . . 0.0 111.773 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -72.41 -25.77 61.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.45 1.1 . . . . 0.0 113.38 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -93.04 2.42 56.78 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.298 1.439 . . . . 0.0 114.348 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.12 33.32 7.34 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 124.604 1.097 . . . . 0.0 114.349 172.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -90.83 146.83 23.61 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.263 1.032 . . . . 0.0 111.327 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -72.11 122.72 21.46 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.949 1.7 . . . . 0.0 110.487 -174.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.99 -26.46 68.86 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -174.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -81.76 -17.01 49.19 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.061 0.944 . . . . 0.0 113.519 174.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -97.84 -11.72 22.96 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.355 1.062 . . . . 0.0 113.122 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -48.21 -42.67 30.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.536 1.534 . . . . 0.0 113.201 -174.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -55.33 -51.04 68.03 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.247 1.019 . . . . 0.0 112.675 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -63.17 -41.22 99.2 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.494 0.718 . . . . 0.0 111.448 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -64.44 -50.23 68.35 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.34 0.656 . . . . 0.0 112.588 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 m -67.42 -33.51 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 119.1 0.864 . . . . 0.0 111.821 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -71.71 -35.35 70.17 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.656 0.662 . . . . 0.0 112.702 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tt -61.86 -55.7 27.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.794 1.638 . . . . 0.0 109.673 169.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.69 -42.83 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.896 0.878 . . . . 0.0 111.946 -176.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -62.41 -38.77 90.97 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -77.64 -25.19 49.52 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.696 -1.252 . . . . 0.0 113.568 176.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -81.86 -55.57 4.52 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.564 0.746 . . . . 0.0 112.001 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -119.77 -4.53 10.21 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.864 -1.148 . . . . 0.0 113.871 -172.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 m 60.17 19.07 8.41 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.992 1.317 . . . . 0.0 113.005 -169.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 69.51 32.74 3.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.573 1.949 . . . . 0.0 113.187 -172.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -110.54 118.47 36.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.952 1.301 . . . . 0.0 109.565 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -66.88 -28.66 68.51 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 121.555 -0.715 . . . . 0.0 111.771 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 m -72.2 -8.24 53.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.903 1.281 . . . . 0.0 114.287 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -76.64 140.23 40.89 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.999 -1.063 . . . . 0.0 113.044 -171.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.2 p -136.52 158.21 44.97 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.802 1.641 . . . . 0.0 111.729 172.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -146.74 126.92 13.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.28 1.432 . . . . 0.0 110.709 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -93.67 137.91 32.44 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.729 1.212 . . . . 0.0 110.058 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -98.49 157.77 16.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.528 1.531 . . . . 0.0 111.781 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -63.02 -23.35 67.41 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.366 1.066 . . . . 0.0 113.239 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -85.59 3.25 41.53 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.659 1.584 . . . . 0.0 113.701 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.52 -1.89 84.34 Favored Glycine 0 N--CA 1.475 1.252 0 C-N-CA 125.367 1.461 . . . . 0.0 115.677 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.5 p -87.04 163.38 17.07 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.621 1.211 . . . . 0.0 111.741 171.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -129.05 149.2 50.97 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.51 1.124 . . . . 0.0 111.228 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -101.29 142.17 33.09 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.355 1.862 . . . . 0.0 109.854 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -139.81 146.89 39.99 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.75 1.22 . . . . 0.0 113.555 -169.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.55 -176.79 52.07 Favored Glycine 0 N--CA 1.469 0.894 0 O-C-N 121.613 -0.679 . . . . 0.0 114.276 170.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.15 -23.29 67.26 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -169.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -103.5 6.2 37.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.44 1.096 . . . . 0.0 112.006 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 50.95 59.4 4.64 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.702 1.601 . . . . 0.0 111.642 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.4 ' CG2' ' HB2' ' A' ' 61' ' ' TRP . 18.0 mt -85.17 135.53 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.523 1.529 . . . . 0.0 109.481 -173.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -97.11 138.71 34.2 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -169.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.12 -11.1 36.27 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -102.03 -3.94 26.84 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.413 1.485 . . . . 0.0 112.759 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -126.22 -44.68 1.72 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.4 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 69.7 m95 -142.98 -28.56 0.56 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -168.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.3 p -113.79 166.4 11.6 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.29 1.036 . . . . 0.0 112.856 169.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -110.05 131.01 55.44 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.903 1.681 . . . . 0.0 112.225 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -85.45 -10.42 56.16 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.87 -157.86 17.72 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.481 1.038 . . . . 0.0 113.266 -170.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.17 1.06 29.69 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 t -160.74 145.36 10.57 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.784 1.234 . . . . 0.0 111.312 -171.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -66.19 155.83 67.84 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 123.374 2.716 . . . . 0.0 111.063 171.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 167.82 74.92 0.03 OUTLIER Glycine 0 N--CA 1.472 1.065 0 O-C-N 121.896 -0.502 . . . . 0.0 113.701 -172.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -154.57 176.95 11.75 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.16 2.184 . . . . 0.0 110.641 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.93 -21.1 60.68 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.692 1.197 . . . . 0.0 113.497 171.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.6 m -106.49 -2.46 21.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.01 1.324 . . . . 0.0 113.927 174.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.0 t30 52.2 53.72 11.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.047 1.739 . . . . 0.0 113.294 171.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.73 143.76 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.554 1.142 . . . . 0.0 111.604 -171.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -96.31 135.73 37.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.912 1.685 . . . . 0.0 111.097 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.1 m -49.2 -36.85 20.91 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.054 1.742 . . . . 0.0 113.944 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.1 t -69.54 -32.59 71.49 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -71.63 -10.06 59.19 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.625 -1.297 . . . . 0.0 112.719 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.75 -14.29 54.77 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.522 -0.736 . . . . 0.0 112.365 173.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.4 mt -95.55 9.89 38.56 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.614 1.566 . . . . 0.0 113.223 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 t -90.66 -171.16 2.95 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.707 1.603 . . . . 0.0 112.877 -169.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -90.55 4.43 51.22 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.45 1.9 . . . . 0.0 115.206 -172.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -135.2 124.6 24.82 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.896 1.678 . . . . 0.0 109.327 169.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.1 pt -70.04 -14.4 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.973 1.309 . . . . 0.0 113.118 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.8 t -54.46 -33.0 58.81 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.643 1.577 . . . . 0.0 114.073 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.95 -34.44 77.5 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.446 0.698 . . . . 0.0 112.218 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.99 -38.02 16.99 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.786 1.234 . . . . 0.0 111.556 174.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.41 -40.78 77.12 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.899 0.879 . . . . 0.0 113.239 -176.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -70.71 -31.52 68.42 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.564 -1.335 . . . . 0.0 112.458 174.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.5 t -65.55 -39.96 92.32 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.615 0.766 . . . . 0.0 110.782 169.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.7 83.4 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.269 1.028 . . . . 0.0 112.89 173.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -63.64 -41.04 98.28 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.489 1.495 . . . . 0.0 112.468 170.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -68.09 -22.91 64.89 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.595 0.758 . . . . 0.0 112.935 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 93.3 mt -76.74 -49.3 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.826 0.85 . . . . 0.0 109.798 168.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -28.18 62.29 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.045 1.338 . . . . 0.0 114.038 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -58.08 -24.32 58.12 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.031 2.133 . . . . 0.0 114.212 171.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -116.05 -33.92 4.89 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.014 1.726 . . . . 0.0 112.745 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -144.23 81.62 1.68 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.855 2.062 . . . . 0.0 110.16 -174.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.575 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -41.89 -45.57 3.75 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.03 1.732 . . . . 0.0 114.132 -170.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -142.61 -3.47 1.02 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.142 1.777 . . . . 0.0 112.758 171.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.95 -15.9 61.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.202 1.801 . . . . 0.0 113.752 -167.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.96 -8.85 58.68 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.995 1.318 . . . . 0.0 113.455 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 24.0 m-90 -119.81 117.77 29.04 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.913 1.285 . . . . 0.0 113.014 -173.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -58.37 -39.69 80.27 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.136 1.375 . . . . 0.0 112.028 169.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.01 -6.53 45.99 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.902 1.239 . . . . 0.0 114.547 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -92.73 -65.84 0.97 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.582 1.191 . . . . 0.0 109.26 167.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -58.4 -27.56 64.39 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -172.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -69.44 -20.45 63.77 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.99 -21.96 0.21 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 -174.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 86.9 m -68.87 -19.61 64.24 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.05 -17.58 60.46 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 173.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -92.42 -54.59 1.8 Allowed Glycine 0 C--N 1.342 0.891 0 C-N-CA 124.818 1.199 . . . . 0.0 111.895 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -153.0 140.8 20.06 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.427 1.091 . . . . 0.0 112.034 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 98.3 mt -115.21 149.74 43.19 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.269 1.428 . . . . 0.0 111.124 169.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.11 159.92 43.5 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.851 3.034 . . . . 0.0 111.286 176.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -79.32 149.23 31.82 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.903 0.858 . . . . 0.0 112.129 172.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.6 pt -132.1 -3.89 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.628 1.971 . . . . 0.0 113.285 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.6 m -69.94 -9.0 53.48 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.712 -1.242 . . . . 0.0 113.958 -175.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 p -85.01 -10.42 57.01 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.778 1.631 . . . . 0.0 113.806 169.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.1 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.958 1.703 . . . . 0.0 112.271 -175.137 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 N-CA-C 112.372 -0.291 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -159.87 162.8 34.69 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.514 1.926 . . . . 0.0 112.346 -173.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 m -111.06 132.19 54.45 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.533 1.133 . . . . 0.0 110.679 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -97.15 154.94 17.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.168 1.787 . . . . 0.0 110.628 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 t -92.39 161.78 14.52 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.558 1.143 . . . . 0.0 108.734 168.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.82 -47.23 80.77 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.405 1.002 . . . . 0.0 111.906 -174.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.08 -39.16 88.84 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.542 -0.724 . . . . 0.0 112.754 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.34 -44.44 93.46 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 123.849 0.737 . . . . 0.0 111.686 175.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.74 -49.31 73.54 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.076 1.35 . . . . 0.0 111.964 175.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.08 -46.01 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.901 0.88 . . . . 0.0 110.445 173.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -69.55 -43.26 73.3 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.11 0.964 . . . . 0.0 113.431 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.04 -39.3 94.33 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.332 1.053 . . . . 0.0 111.248 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.96 -38.39 64.23 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.701 0.8 . . . . 0.0 112.169 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -58.16 -39.7 79.53 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.845 -0.534 . . . . 0.0 111.929 172.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -66.64 -34.76 78.58 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.958 0.903 . . . . 0.0 112.503 172.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.05 5.65 48.04 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.119 1.368 . . . . 0.0 114.476 -174.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.82 34.69 7.16 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 124.412 1.006 . . . . 0.0 114.572 170.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -98.96 136.73 38.52 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.931 1.293 . . . . 0.0 109.299 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -77.11 139.44 39.97 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.31 0.644 . . . . 0.0 111.987 -172.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.38 -26.65 67.98 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -177.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -82.39 -16.87 47.53 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -97.67 -17.99 19.13 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.72 1.208 . . . . 0.0 112.325 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.2 tpp -49.21 -44.57 43.35 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.997 1.719 . . . . 0.0 113.244 -174.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -56.82 -46.27 81.75 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.247 1.019 . . . . 0.0 113.018 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -63.93 -44.59 92.41 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.212 0.605 . . . . 0.0 111.268 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -64.58 -49.51 70.89 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.437 0.695 . . . . 0.0 112.769 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -66.27 -34.33 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.358 0.981 . . . . 0.0 111.908 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -70.47 -43.64 69.38 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.76 0.709 . . . . 0.0 111.498 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -54.99 -53.01 61.16 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.95 1.3 . . . . 0.0 110.36 170.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.13 -40.4 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.559 0.744 . . . . 0.0 112.059 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.85 -40.36 97.22 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 175.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -83.36 -16.25 46.75 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -91.93 -57.1 2.84 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.31 1.044 . . . . 0.0 111.795 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 m -126.27 4.79 7.03 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -170.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 m 60.96 22.65 12.83 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.462 1.505 . . . . 0.0 114.025 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtm-85 68.1 25.37 7.46 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.71 1.604 . . . . 0.0 113.032 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -118.05 118.48 32.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.175 1.79 . . . . 0.0 111.166 -176.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -68.27 -25.38 65.13 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -75.13 -8.34 56.29 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -74.29 136.76 42.62 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 120.971 -1.08 . . . . 0.0 113.086 -172.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.5 p -139.59 155.19 47.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.865 2.066 . . . . 0.0 111.518 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -149.59 129.08 13.03 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.998 1.319 . . . . 0.0 111.62 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 m -89.2 144.17 26.3 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.977 1.311 . . . . 0.0 110.512 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -108.87 159.24 16.95 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.797 1.639 . . . . 0.0 111.931 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -62.27 -23.55 66.77 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.485 1.114 . . . . 0.0 113.371 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -77.75 -6.87 55.49 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.493 1.517 . . . . 0.0 113.998 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.3 -2.88 83.8 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.412 1.482 . . . . 0.0 114.546 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.3 p -83.75 162.84 20.53 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.939 1.296 . . . . 0.0 111.627 170.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -128.4 152.02 48.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.778 1.231 . . . . 0.0 110.933 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -100.65 143.16 31.14 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.76 2.024 . . . . 0.0 109.715 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -141.84 147.94 38.02 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.681 1.192 . . . . 0.0 112.992 -170.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.12 -176.9 49.14 Favored Glycine 0 CA--C 1.526 0.721 0 O-C-N 121.766 -0.584 . . . . 0.0 113.783 172.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -13.12 61.02 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 117.006 2.225 . . . . 0.0 117.006 -168.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -115.23 15.87 16.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.808 1.243 . . . . 0.0 111.551 176.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 44.5 57.13 4.6 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.132 1.773 . . . . 0.0 111.942 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.6 mt -83.1 130.95 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.415 1.086 . . . . 0.0 109.94 -171.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -93.29 138.3 31.79 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -170.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.39 -11.7 52.92 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -82.89 -18.48 40.09 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.023 0.929 . . . . 0.0 112.798 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -130.61 -59.63 1.01 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -167.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -102.16 -50.82 3.53 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -166.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.12 162.92 12.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.174 1.39 . . . . 0.0 112.439 170.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.4 t -108.74 134.94 50.78 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.61 1.964 . . . . 0.0 112.184 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -86.31 -10.91 53.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.14 -158.94 14.17 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 124.426 1.012 . . . . 0.0 114.14 -169.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.04 0.4 36.0 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.7 t -158.25 145.9 13.59 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.949 1.3 . . . . 0.0 111.209 -174.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -63.72 143.63 87.15 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.125 2.55 . . . . 0.0 110.197 169.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.98 34.7 0.03 OUTLIER Glycine 0 N--CA 1.475 1.262 0 N-CA-C 116.008 1.163 . . . . 0.0 116.008 -169.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -121.47 -173.56 2.66 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.038 1.735 . . . . 0.0 110.223 175.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.24 -28.64 63.1 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -168.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.57 7.65 35.19 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.5 t30 56.46 47.97 17.74 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.711 1.604 . . . . 0.0 112.648 170.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.7 p -150.9 143.63 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.563 1.545 . . . . 0.0 110.027 -170.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -96.25 137.27 35.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.852 1.261 . . . . 0.0 111.376 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.5 m -48.84 -36.6 17.26 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.266 1.826 . . . . 0.0 114.385 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -70.79 -31.65 68.49 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -70.39 -15.81 62.89 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.73 -1.232 . . . . 0.0 112.713 175.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.21 -13.57 59.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.103 0.961 . . . . 0.0 112.338 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 mt -94.9 10.67 34.53 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.678 1.591 . . . . 0.0 112.89 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p -87.87 -171.13 3.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.149 1.38 . . . . 0.0 112.555 -173.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -90.7 1.35 56.92 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.737 2.015 . . . . 0.0 115.092 -173.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -132.54 122.68 25.19 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.086 1.354 . . . . 0.0 109.407 169.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.6 pt -66.35 -13.5 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.915 1.686 . . . . 0.0 113.38 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.8 t -53.07 -34.13 55.12 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.94 1.696 . . . . 0.0 114.486 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -63.83 -34.17 77.32 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.658 -0.651 . . . . 0.0 111.925 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.78 -40.01 15.39 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.092 1.357 . . . . 0.0 111.335 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.76 88.93 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.16 0.984 . . . . 0.0 112.963 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.39 -33.41 74.2 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.033 -1.042 . . . . 0.0 112.616 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 36.7 t -66.2 -40.33 90.3 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.964 0.906 . . . . 0.0 110.967 171.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.1 82.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.562 1.145 . . . . 0.0 113.088 173.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -60.42 -42.5 96.14 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.444 1.475 . . . . 0.0 112.415 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -68.08 -20.61 64.96 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 87.1 mt -81.08 -43.78 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.372 -0.83 . . . . 0.0 111.056 169.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -30.05 67.98 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.235 -0.916 . . . . 0.0 112.701 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -57.77 -20.28 33.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.559 1.543 . . . . 0.0 114.954 169.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -114.74 -32.7 5.74 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.503 1.521 . . . . 0.0 112.879 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -134.63 -3.97 2.59 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -169.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . 0.318 0.0 OUTLIER 43.82 -56.18 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 131.234 3.814 . . . . 0.0 117.407 -168.074 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -142.73 -9.22 0.82 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.459 1.903 . . . . 0.0 113.501 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.98 -12.65 60.0 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.063 1.345 . . . . 0.0 114.05 -171.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.35 -6.86 46.32 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.237 1.015 . . . . 0.0 113.469 173.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -123.47 142.67 50.77 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.856 1.663 . . . . 0.0 111.647 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -85.38 -39.02 18.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -170.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.52 -29.39 75.02 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.034 0.826 . . . . 0.0 113.109 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -62.96 -40.35 97.41 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 117.979 0.89 . . . . 0.0 113.041 175.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -94.95 -15.17 23.8 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -98.23 -22.1 16.33 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.6 1.16 . . . . 0.0 113.98 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -133.03 -47.17 0.85 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.6 m -70.3 -8.1 47.67 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 -170.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -74.6 -20.97 59.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.869 0.867 . . . . 0.0 112.913 174.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.73 -35.55 28.14 Favored Glycine 0 C--N 1.344 1.023 0 CA-C-N 118.762 0.71 . . . . 0.0 113.314 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -174.12 148.4 1.34 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.628 2.371 . . . . 0.0 110.391 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.4 mt -110.67 148.28 38.19 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.057 1.343 . . . . 0.0 110.71 170.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -71.91 150.5 55.31 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.393 2.729 . . . . 0.0 110.749 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -77.34 147.64 36.04 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 122.247 1.023 . . . . 0.0 111.457 170.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.3 pt -131.81 0.7 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.907 2.083 . . . . 0.0 112.626 -178.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 m -63.67 -13.02 38.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -173.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.3 p -89.06 -10.37 47.69 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.923 1.689 . . . . 0.0 114.13 172.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.9 m . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.077 1.751 . . . . 0.0 112.24 -176.279 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.54 165.76 31.25 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.752 2.021 . . . . 0.0 113.117 -178.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 m -99.98 148.71 24.21 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.987 1.715 . . . . 0.0 109.722 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -114.19 154.1 28.45 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.434 1.894 . . . . 0.0 110.095 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 t -94.44 161.77 14.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.822 1.249 . . . . 0.0 108.988 169.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -56.52 -47.53 79.16 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.28 0.945 . . . . 0.0 111.766 -175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -60.28 -37.72 81.38 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.81 -45.95 62.54 Favored Glycine 0 C--N 1.339 0.718 0 C-N-CA 124.141 0.877 . . . . 0.0 111.601 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.12 -49.75 74.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.149 1.38 . . . . 0.0 111.792 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -50.3 -45.87 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.886 0.874 . . . . 0.0 110.568 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -68.89 -43.41 75.33 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -61.94 -42.5 99.18 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.414 1.086 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.68 -40.46 69.58 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.984 0.914 . . . . 0.0 112.199 177.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -56.44 -40.48 74.86 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.321 0.509 . . . . 0.0 111.81 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.71 -28.7 63.87 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.099 0.96 . . . . 0.0 113.141 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.25 4.87 51.22 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.292 1.437 . . . . 0.0 114.317 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.83 32.27 8.11 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 124.564 1.078 . . . . 0.0 114.675 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -96.88 136.86 36.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.716 1.206 . . . . 0.0 109.458 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -72.18 134.14 45.52 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.621 0.768 . . . . 0.0 111.639 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.23 -24.98 65.28 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -78.85 -21.31 47.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.285 1.434 . . . . 0.0 112.504 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.6 mt -99.55 -13.24 19.53 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.992 1.317 . . . . 0.0 112.809 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.2 tpp -51.11 -43.75 61.16 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.4 1.48 . . . . 0.0 112.916 -174.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -54.44 -49.41 70.08 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.093 0.957 . . . . 0.0 112.375 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -61.9 -46.74 88.07 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.714 0.805 . . . . 0.0 110.669 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -63.26 -49.62 73.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.794 0.838 . . . . 0.0 112.368 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 m -67.13 -35.52 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.215 0.916 . . . . 0.0 111.839 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.13 -32.87 67.33 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.957 0.799 . . . . 0.0 112.804 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.31 -55.25 22.59 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.931 1.692 . . . . 0.0 109.496 169.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.9 t -59.77 -39.15 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.05 0.94 . . . . 0.0 112.055 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.92 -19.24 64.96 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -95.64 -36.45 11.22 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.639 1.109 . . . . 0.0 112.368 172.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -74.22 -57.39 3.99 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.174 0.59 . . . . 0.0 111.314 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -112.8 -8.85 13.72 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.14 -0.975 . . . . 0.0 113.381 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m 63.52 24.85 14.22 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.81 1.244 . . . . 0.0 112.786 -169.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 71.27 28.74 2.94 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.626 1.57 . . . . 0.0 112.538 -174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -118.55 115.07 23.82 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.9 1.28 . . . . 0.0 112.216 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.1 p -64.91 -25.69 67.99 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.8 m -79.5 -5.68 55.34 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -74.44 140.41 44.63 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.875 -1.141 . . . . 0.0 113.034 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.5 p -137.75 156.15 48.28 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.005 1.722 . . . . 0.0 111.988 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -148.0 131.96 17.18 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.011 1.324 . . . . 0.0 111.413 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 m -88.18 144.23 26.58 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.717 1.207 . . . . 0.0 110.054 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -103.46 157.3 17.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.449 1.499 . . . . 0.0 111.81 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -63.45 -22.37 66.85 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.267 1.027 . . . . 0.0 113.13 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -81.8 -0.62 44.13 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.651 1.58 . . . . 0.0 113.666 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.33 -2.11 84.82 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.567 1.556 . . . . 0.0 115.325 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.5 p -86.99 164.65 16.38 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.293 1.437 . . . . 0.0 111.71 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -127.62 150.93 49.51 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.86 -1.15 . . . . 0.0 111.361 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -104.45 143.41 33.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.782 2.033 . . . . 0.0 110.164 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -141.22 150.09 42.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.036 1.334 . . . . 0.0 113.2 -170.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.52 -176.25 50.61 Favored Glycine 0 N--CA 1.468 0.803 0 CA-C-O 121.89 0.716 . . . . 0.0 113.987 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 tp -65.18 -23.1 67.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 -168.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -105.57 9.46 33.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.338 1.055 . . . . 0.0 111.774 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 50.84 57.04 7.08 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.542 1.537 . . . . 0.0 111.504 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.1 mt -84.21 136.08 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 125.276 1.43 . . . . 0.0 109.748 -172.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -94.46 138.78 31.97 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -169.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -67.89 -10.92 57.17 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -102.58 -15.79 16.29 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.692 1.197 . . . . 0.0 112.325 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -118.14 -28.21 5.89 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -168.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -147.33 -51.11 0.19 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -168.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -98.55 168.85 9.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.85 1.26 . . . . 0.0 112.186 169.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -115.46 135.63 53.91 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.971 1.708 . . . . 0.0 112.355 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -77.08 -13.93 59.88 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.7 -167.31 26.09 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.016 0.817 . . . . 0.0 113.256 -171.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.17 -8.66 59.53 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.2 m -139.29 150.77 65.49 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 126.343 1.857 . . . . 0.0 110.692 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.25 154.83 71.32 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.225 2.617 . . . . 0.0 110.58 173.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.5 54.15 0.01 OUTLIER Glycine 0 N--CA 1.472 1.062 0 N-CA-C 114.249 0.46 . . . . 0.0 114.249 -173.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -143.89 -175.29 4.53 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.902 2.081 . . . . 0.0 110.276 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.67 -23.99 45.58 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -169.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 72.1 m -113.64 10.45 18.0 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.832 1.253 . . . . 0.0 114.316 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.7 t30 56.48 47.63 18.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.922 1.689 . . . . 0.0 112.586 171.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.1 p -152.72 148.49 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.302 1.441 . . . . 0.0 110.27 -170.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -103.2 135.36 44.99 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.599 1.56 . . . . 0.0 111.105 -173.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.1 m -50.24 -37.4 35.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.204 1.402 . . . . 0.0 114.152 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -76.06 -26.65 56.75 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -22.19 63.69 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.812 -1.18 . . . . 0.0 112.174 173.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.66 -13.75 61.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.679 0.792 . . . . 0.0 112.67 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.2 mt -94.21 1.85 55.98 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.41 1.484 . . . . 0.0 112.79 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.0 p -79.34 170.07 17.15 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.782 1.233 . . . . 0.0 111.615 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -78.52 6.47 8.53 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -169.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -127.8 123.29 34.85 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.313 1.445 . . . . 0.0 109.207 169.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.5 pt -66.02 -14.1 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.405 1.482 . . . . 0.0 113.327 -176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.1 t -54.57 -33.26 59.91 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.59 1.556 . . . . 0.0 114.538 -169.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -36.16 82.77 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.567 -0.708 . . . . 0.0 111.501 176.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.13 -40.42 18.25 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.538 1.135 . . . . 0.0 111.264 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.53 93.72 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.048 0.939 . . . . 0.0 112.974 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -65.45 -35.14 80.03 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.94 -1.1 . . . . 0.0 112.653 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 36.1 t -67.44 -39.72 85.4 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.602 0.761 . . . . 0.0 111.22 172.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.41 88.88 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.195 0.998 . . . . 0.0 112.587 172.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -61.28 -42.25 98.33 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.234 1.379 . . . . 0.0 112.55 170.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.74 -26.36 66.95 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.2 mt -74.93 -44.89 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.41 -0.806 . . . . 0.0 110.644 169.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -24.59 57.75 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.077 1.351 . . . . 0.0 114.081 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -58.03 -19.14 29.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.628 1.571 . . . . 0.0 114.942 169.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -127.53 -32.06 2.44 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.288 1.435 . . . . 0.0 112.789 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -140.39 85.52 2.01 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.663 1.585 . . . . 0.0 110.538 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -54.24 -38.57 65.91 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -170.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -142.78 -15.84 0.71 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.106 1.362 . . . . 0.0 113.532 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.58 -14.83 62.2 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.667 1.187 . . . . 0.0 114.137 -172.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.85 -7.29 47.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.381 1.072 . . . . 0.0 113.67 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.6 m-90 -125.89 127.93 46.8 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 125.42 1.488 . . . . 0.0 111.582 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.97 -33.22 67.98 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -171.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.32 -38.95 95.44 Favored Glycine 0 C--N 1.339 0.724 0 C-N-CA 124.032 0.825 . . . . 0.0 113.16 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -64.39 -41.51 96.63 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -83.67 -9.95 58.51 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -95.42 -34.7 12.01 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.153 1.381 . . . . 0.0 113.984 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.91 -32.14 0.81 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.689 1.737 . . . . 0.0 115.689 -173.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 59.6 m -70.78 -9.89 58.35 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 120.815 -1.178 . . . . 0.0 114.062 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -72.74 -23.01 60.78 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.224 1.009 . . . . 0.0 112.538 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -88.67 -49.53 3.6 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 124.305 0.955 . . . . 0.0 112.81 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.0 m -153.54 145.35 23.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.045 1.338 . . . . 0.0 111.699 -174.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.2 mt -119.53 150.01 49.06 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 125.599 1.56 . . . . 0.0 110.976 171.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -74.2 157.69 45.9 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.798 2.999 . . . . 0.0 110.939 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -79.03 148.77 32.38 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 122.166 0.984 . . . . 0.0 111.734 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.0 pt -128.01 -1.5 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.908 2.083 . . . . 0.0 112.679 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.0 m -66.5 -14.27 62.04 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.46 1.104 . . . . 0.0 113.937 -174.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.3 p -88.12 -10.31 50.45 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.949 1.699 . . . . 0.0 113.996 173.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.797 1.639 . . . . 0.0 112.133 -176.426 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.056 0 N-CA-C 111.921 -0.472 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -157.03 163.7 38.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.769 1.628 . . . . 0.0 112.672 -172.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 m -106.49 135.58 47.74 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.799 1.239 . . . . 0.0 110.654 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -103.26 155.82 18.17 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.282 1.833 . . . . 0.0 110.677 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 p -82.47 169.05 16.82 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.508 1.123 . . . . 0.0 108.504 166.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -60.99 -37.92 84.17 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.86 -0.525 . . . . 0.0 109.6 167.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.4 m -64.86 -40.95 95.94 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.17 -44.88 58.66 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 124.331 0.967 . . . . 0.0 111.429 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.42 -47.8 77.75 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.427 1.114 . . . . 0.0 112.254 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.37 -41.71 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 119.29 0.95 . . . . 0.0 110.892 175.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -73.66 -42.03 61.91 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.231 1.012 . . . . 0.0 113.161 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.22 -39.25 93.59 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.248 1.019 . . . . 0.0 111.051 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -73.88 -38.45 64.4 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.449 -0.782 . . . . 0.0 111.99 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -56.08 -43.01 77.61 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.091 0.557 . . . . 0.0 111.93 170.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -65.61 -36.99 85.32 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.987 0.915 . . . . 0.0 112.34 173.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -86.23 -2.47 58.41 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.15 24.01 8.22 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.763 1.173 . . . . 0.0 115.172 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 14.5 m-85 -88.4 136.4 33.0 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.552 1.141 . . . . 0.0 109.936 175.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -69.81 131.83 45.11 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.424 0.69 . . . . 0.0 110.931 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -66.79 -19.38 65.73 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -176.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -76.09 -23.9 54.98 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 171.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.2 mt -90.83 -16.63 27.96 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.542 1.137 . . . . 0.0 112.332 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.4 tpp -50.18 -44.56 52.9 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.669 1.588 . . . . 0.0 113.435 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -55.4 -42.52 74.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.085 0.954 . . . . 0.0 113.015 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -67.98 -47.24 69.11 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.357 0.663 . . . . 0.0 111.164 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -62.14 -48.68 79.05 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.577 0.751 . . . . 0.0 112.51 -178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 m -66.5 -35.78 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 119.186 0.903 . . . . 0.0 111.853 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -71.2 -38.45 72.06 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.077 0.853 . . . . 0.0 112.188 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.32 -55.5 33.94 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.581 1.552 . . . . 0.0 109.844 169.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.9 t -60.1 -39.92 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.968 0.907 . . . . 0.0 112.173 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -63.69 -26.59 68.73 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -86.37 -39.06 16.79 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.585 1.084 . . . . 0.0 112.266 172.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.1 -55.78 5.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.034 0.534 . . . . 0.0 111.345 -172.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.9 p -112.57 -11.25 13.61 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m 68.03 24.15 7.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.574 1.55 . . . . 0.0 112.762 -169.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 69.68 27.81 4.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.171 1.388 . . . . 0.0 112.481 -175.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -119.0 118.42 31.45 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.254 1.422 . . . . 0.0 111.406 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.6 p -68.16 -25.61 65.34 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 119.078 -0.487 . . . . 0.0 112.082 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.8 m -77.67 -4.53 46.58 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -73.51 144.37 46.18 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.913 -1.117 . . . . 0.0 112.882 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 p -146.15 152.43 39.25 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.548 1.939 . . . . 0.0 111.382 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -149.51 124.23 9.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.445 1.498 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 m -92.97 142.73 26.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.942 1.297 . . . . 0.0 110.537 -176.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -106.16 159.63 15.94 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.573 1.549 . . . . 0.0 112.254 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -63.65 -23.36 67.34 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.57 1.148 . . . . 0.0 113.316 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -71.28 -15.59 62.43 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.591 1.556 . . . . 0.0 113.764 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.24 -4.94 74.63 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.549 1.547 . . . . 0.0 114.077 -176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.9 p -80.38 162.43 24.49 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.981 1.313 . . . . 0.0 111.762 170.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -128.74 150.18 50.39 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.686 1.194 . . . . 0.0 111.221 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -101.72 139.88 36.77 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.317 1.847 . . . . 0.0 109.462 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -138.79 148.99 44.48 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.573 1.149 . . . . 0.0 113.046 -169.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.53 -175.35 53.23 Favored Glycine 0 N--CA 1.467 0.715 0 O-C-N 121.51 -0.743 . . . . 0.0 114.282 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.97 -21.7 66.88 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -168.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -108.49 9.96 27.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.492 1.117 . . . . 0.0 111.673 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 50.31 57.46 6.56 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.821 1.648 . . . . 0.0 111.508 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.425 HD13 ' SG ' ' A' ' 90' ' ' CYS . 15.9 mt -84.5 133.35 29.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.301 1.44 . . . . 0.0 109.747 -171.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -93.59 137.92 32.37 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -170.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -66.37 -11.56 52.02 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -83.54 -18.01 39.84 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.003 0.921 . . . . 0.0 112.758 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -130.77 -59.1 1.01 Allowed 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -167.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -102.8 -50.79 3.44 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -166.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -102.12 162.97 12.5 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.363 1.465 . . . . 0.0 111.865 169.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.6 t -111.05 135.74 51.11 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.878 1.671 . . . . 0.0 112.447 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -78.85 -13.73 59.64 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.57 -167.16 25.31 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.045 0.831 . . . . 0.0 112.971 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.23 -7.92 57.71 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.8 m -139.5 150.77 64.86 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 126.058 1.743 . . . . 0.0 111.068 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -68.92 157.01 63.57 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.452 2.768 . . . . 0.0 110.725 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.57 40.82 0.02 OUTLIER Glycine 0 N--CA 1.476 1.342 0 N-CA-C 116.181 1.232 . . . . 0.0 116.181 -176.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -128.32 -173.25 2.9 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.309 1.844 . . . . 0.0 110.425 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -57.27 -26.78 61.36 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -169.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 62.9 m -105.9 7.29 32.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.589 1.156 . . . . 0.0 113.919 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.4 t30 56.49 48.32 16.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.939 1.695 . . . . 0.0 112.56 172.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -150.89 153.59 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 125.325 1.45 . . . . 0.0 110.664 -171.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -105.93 136.27 45.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.259 1.823 . . . . 0.0 111.174 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.6 m -51.55 -36.51 45.4 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.255 1.422 . . . . 0.0 113.91 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -72.23 -29.98 64.47 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -14.44 62.46 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.736 -1.228 . . . . 0.0 112.162 171.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.45 -14.59 58.16 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.028 0.831 . . . . 0.0 112.446 172.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.1 mt -94.62 6.76 47.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.526 1.53 . . . . 0.0 113.04 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -79.97 -179.61 7.08 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.466 1.507 . . . . 0.0 111.991 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -91.67 9.16 33.55 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.358 1.463 . . . . 0.0 113.819 -170.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -132.92 126.36 31.94 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.031 1.732 . . . . 0.0 108.031 168.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.9 pt -67.79 -14.14 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.491 1.116 . . . . 0.0 113.179 -174.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.5 t -53.08 -37.55 61.77 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.624 1.569 . . . . 0.0 114.265 -169.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -61.7 -32.51 72.72 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.385 -0.822 . . . . 0.0 112.196 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.59 -39.04 15.43 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.826 1.25 . . . . 0.0 111.729 174.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.65 -39.77 80.54 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.452 1.101 . . . . 0.0 113.4 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -69.65 -33.27 72.38 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.912 -1.117 . . . . 0.0 112.322 173.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.425 ' SG ' HD13 ' A' ' 56' ' ' ILE . 37.7 t -68.68 -35.32 77.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.263 1.025 . . . . 0.0 111.485 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.97 91.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.128 0.971 . . . . 0.0 112.394 171.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.405 ' HD3' ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -61.16 -42.31 98.32 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.955 1.252 . . . . 0.0 112.549 170.718 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.81 -24.96 67.02 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.019 0.928 . . . . 0.0 112.997 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 84.9 mt -77.12 -46.44 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.964 0.906 . . . . 0.0 110.462 168.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.82 -25.82 56.75 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.519 1.528 . . . . 0.0 113.918 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -55.41 -27.18 46.08 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.411 1.484 . . . . 0.0 114.416 169.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -115.59 -34.89 4.72 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.544 1.538 . . . . 0.0 112.307 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -143.62 88.26 1.98 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.573 1.549 . . . . 0.0 110.751 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -54.35 -38.55 66.2 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -170.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -142.21 -10.32 0.86 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.248 1.419 . . . . 0.0 113.328 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -76.18 -12.61 60.13 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -171.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.88 -5.21 39.71 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.139 0.976 . . . . 0.0 113.631 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -125.93 143.99 50.86 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.679 1.592 . . . . 0.0 111.77 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -86.87 -37.32 17.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -169.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.02 -34.2 88.16 Favored Glycine 0 N--CA 1.471 0.978 0 C-N-CA 123.695 0.664 . . . . 0.0 113.328 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -61.7 -41.27 97.38 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -94.93 -17.57 21.87 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.34 -20.96 19.29 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -138.94 -44.2 0.47 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 m -70.78 -7.0 41.88 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -172.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -72.69 -22.88 60.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.029 0.932 . . . . 0.0 112.958 173.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.7 -35.26 25.8 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 118.724 0.693 . . . . 0.0 113.551 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -173.19 145.73 1.36 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 127.36 2.264 . . . . 0.0 110.369 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.7 mt -111.04 148.86 39.54 Favored Pre-proline 0 CA--C 1.543 0.709 0 C-N-CA 124.979 1.311 . . . . 0.0 111.163 172.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -70.64 153.43 64.89 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 123.773 2.982 . . . . 0.0 111.04 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -77.57 148.09 35.36 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 122.275 1.036 . . . . 0.0 111.647 170.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.9 pt -129.94 -0.09 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.997 2.119 . . . . 0.0 112.636 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.8 m -62.96 -17.02 61.47 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -173.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 m -83.46 -6.32 59.42 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.051 1.341 . . . . 0.0 113.849 173.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.858 1.663 . . . . 0.0 112.061 -175.28 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.171 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -155.92 162.37 40.4 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.613 1.565 . . . . 0.0 112.718 -171.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -109.45 136.59 48.61 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.11 1.364 . . . . 0.0 110.334 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -104.42 155.05 19.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.089 1.755 . . . . 0.0 110.709 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.0 t -93.88 162.43 13.91 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.866 1.266 . . . . 0.0 108.683 168.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.3 -47.73 78.07 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.456 1.025 . . . . 0.0 111.787 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.4 m -59.86 -38.87 83.37 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.64 -0.662 . . . . 0.0 112.768 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.83 -45.54 73.86 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 124.057 0.836 . . . . 0.0 111.691 176.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.01 -50.03 73.69 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.054 1.341 . . . . 0.0 111.797 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.24 -45.3 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.744 0.818 . . . . 0.0 110.606 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -68.79 -43.68 75.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.985 0.914 . . . . 0.0 113.46 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.36 -38.14 88.38 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.05 1.34 . . . . 0.0 111.274 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.49 -41.08 48.31 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.008 0.923 . . . . 0.0 112.284 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -55.9 -40.58 73.24 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 118.451 0.569 . . . . 0.0 111.492 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -66.37 -41.65 89.13 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.516 1.926 . . . . 0.0 112.254 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -82.26 -5.18 58.36 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.33 39.83 2.73 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 124.751 1.167 . . . . 0.0 114.459 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -105.04 138.48 41.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.374 1.47 . . . . 0.0 109.332 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.38 141.57 38.27 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.201 0.6 . . . . 0.0 112.082 -172.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -38.83 63.0 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.817 1.247 . . . . 0.0 113.925 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.39 -14.81 60.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.1 mt -100.99 -20.33 15.46 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.02 1.328 . . . . 0.0 112.079 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.5 tpp -49.78 -44.97 49.24 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.04 1.736 . . . . 0.0 113.011 -174.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -55.18 -48.57 73.61 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.021 0.929 . . . . 0.0 112.428 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -65.06 -44.13 89.98 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.556 0.742 . . . . 0.0 111.481 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -62.71 -48.94 77.05 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.256 0.622 . . . . 0.0 112.494 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 m -67.81 -35.07 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 119.221 0.919 . . . . 0.0 111.924 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -71.79 -32.18 67.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.715 0.689 . . . . 0.0 112.664 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.91 -54.34 27.77 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.091 1.756 . . . . 0.0 109.927 169.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.03 -40.48 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.026 0.93 . . . . 0.0 111.891 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.93 -31.74 72.08 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -85.6 -29.31 24.2 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -81.62 -59.12 2.72 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.945 0.898 . . . . 0.0 111.624 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -113.21 -10.24 13.39 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -174.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m 67.55 23.64 8.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.429 1.492 . . . . 0.0 112.816 -169.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 mtm-85 70.38 29.17 3.6 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.251 1.42 . . . . 0.0 112.192 -175.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -121.77 117.52 26.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.09 1.356 . . . . 0.0 111.391 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.5 p -67.75 -27.14 66.53 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 122.247 -0.283 . . . . 0.0 111.637 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 m -74.86 -5.47 43.8 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -74.71 145.22 43.27 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.897 -1.127 . . . . 0.0 112.851 -174.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.0 p -145.3 156.66 43.94 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.097 1.759 . . . . 0.0 111.823 175.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -147.5 131.69 17.4 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.022 1.329 . . . . 0.0 111.373 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.3 m -89.91 144.21 26.13 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.95 1.3 . . . . 0.0 110.132 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -106.46 158.36 16.96 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.14 1.376 . . . . 0.0 111.576 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -61.6 -24.02 66.4 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.383 1.073 . . . . 0.0 113.259 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -69.5 -18.75 63.72 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.742 1.617 . . . . 0.0 114.091 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.31 -4.16 70.01 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.336 1.446 . . . . 0.0 114.247 -175.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.2 p -82.9 159.2 22.38 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.927 1.291 . . . . 0.0 111.176 169.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -127.37 153.03 46.73 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.618 1.167 . . . . 0.0 111.18 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -103.55 143.33 32.88 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.596 1.958 . . . . 0.0 110.011 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -140.9 147.23 38.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.638 1.175 . . . . 0.0 113.422 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.26 -175.82 53.82 Favored Glycine 0 N--CA 1.467 0.727 0 CA-C-O 121.92 0.734 . . . . 0.0 114.292 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -21.59 66.8 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -168.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -107.85 9.06 28.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.584 1.153 . . . . 0.0 111.771 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 50.14 57.89 6.07 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.839 1.656 . . . . 0.0 111.574 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.6 mt -84.13 134.2 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.222 1.409 . . . . 0.0 109.457 -172.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -93.98 139.61 30.72 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -170.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.53 -9.63 27.87 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 116.491 2.034 . . . . 0.0 116.491 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -89.11 -15.79 33.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.959 1.304 . . . . 0.0 113.666 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -135.36 -47.78 0.7 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -167.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -117.71 -41.39 2.93 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -167.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -111.63 165.19 12.24 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.614 1.166 . . . . 0.0 112.052 168.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -118.36 136.98 53.42 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.752 1.221 . . . . 0.0 112.372 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -85.83 -11.32 53.7 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.82 -170.49 29.29 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.01 0.815 . . . . 0.0 112.371 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.39 4.26 18.58 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 -177.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -148.75 143.56 17.33 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.579 1.552 . . . . 0.0 110.562 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.16 159.93 51.0 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.546 2.831 . . . . 0.0 111.603 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.05 72.65 0.03 OUTLIER Glycine 0 N--CA 1.472 1.087 0 O-C-N 121.888 -0.507 . . . . 0.0 114.283 -175.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -154.49 -176.78 6.06 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.356 2.263 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.96 -27.16 60.99 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.625 1.57 . . . . 0.0 114.075 175.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 55.8 m -105.67 0.26 26.19 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.653 1.181 . . . . 0.0 114.039 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 55.94 50.38 14.02 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.609 1.563 . . . . 0.0 112.898 170.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.2 p -149.6 151.34 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.717 1.207 . . . . 0.0 111.469 -171.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -104.26 135.83 44.98 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.537 1.935 . . . . 0.0 111.147 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.3 m -51.87 -37.46 52.25 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.524 1.529 . . . . 0.0 113.813 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -73.69 -28.31 61.68 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -10.86 60.38 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.807 -1.183 . . . . 0.0 112.478 171.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.8 mt -84.18 -14.6 49.69 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.678 0.672 . . . . 0.0 112.272 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 mt -93.81 8.09 42.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.588 1.555 . . . . 0.0 112.903 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.4 t -84.08 -175.48 5.82 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.677 1.591 . . . . 0.0 112.181 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -93.83 11.48 29.19 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.681 1.592 . . . . 0.0 113.921 -169.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -139.13 127.05 22.21 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.061 1.744 . . . . 0.0 108.431 168.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.7 pt -71.11 -12.82 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.5 1.12 . . . . 0.0 113.174 -173.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.1 t -56.92 -33.93 67.45 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -169.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -32.85 73.49 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.125 -0.985 . . . . 0.0 112.044 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.26 -39.94 16.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.342 1.057 . . . . 0.0 111.618 174.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.45 -41.6 84.46 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.855 0.862 . . . . 0.0 113.266 -176.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -68.04 -32.92 73.61 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.721 -1.237 . . . . 0.0 112.411 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.0 t -67.97 -37.48 81.59 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.816 0.846 . . . . 0.0 111.222 171.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.74 91.95 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.162 0.985 . . . . 0.0 112.583 171.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.19 -42.27 98.28 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 120.359 1.436 . . . . 0.0 112.328 170.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -66.02 -22.26 66.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.8 mt -80.85 -45.53 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.044 0.937 . . . . 0.0 110.753 168.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -28.15 55.96 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.216 1.406 . . . . 0.0 113.598 177.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.77 -20.5 35.63 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.055 1.742 . . . . 0.0 114.801 169.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -116.01 -38.39 3.65 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.831 1.653 . . . . 0.0 112.082 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -145.3 95.87 2.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.608 1.563 . . . . 0.0 110.809 -176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -54.33 -39.18 66.81 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -170.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -142.56 -17.14 0.71 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.146 1.378 . . . . 0.0 113.457 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -72.26 -14.32 61.74 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -172.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.27 -9.37 55.76 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.271 1.028 . . . . 0.0 113.592 172.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 -121.05 124.57 45.14 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.391 1.476 . . . . 0.0 111.749 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -71.05 -32.15 68.78 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -173.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.48 -37.44 94.45 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 123.78 0.705 . . . . 0.0 112.716 -178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -64.2 -44.79 90.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 117.767 0.783 . . . . 0.0 112.613 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -78.07 -10.19 59.5 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -90.25 -34.66 15.68 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.948 1.299 . . . . 0.0 113.602 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.16 -24.49 0.99 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -170.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 84.1 m -76.49 -7.02 54.27 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 120.051 1.296 . . . . 0.0 113.844 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -77.67 -21.56 51.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.35 1.06 . . . . 0.0 112.836 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -88.33 -39.28 6.87 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 124.026 0.822 . . . . 0.0 113.62 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.6 t -170.32 153.9 4.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.656 1.582 . . . . 0.0 111.264 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.5 mt -121.26 150.14 53.38 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.798 1.639 . . . . 0.0 111.766 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -71.41 156.72 58.04 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.853 3.036 . . . . 0.0 111.214 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -78.31 152.05 32.64 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 122.217 1.008 . . . . 0.0 112.175 173.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.8 pt -131.56 -3.36 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 127.001 2.12 . . . . 0.0 113.056 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.0 t -67.6 -18.81 65.12 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.101 -0.999 . . . . 0.0 112.737 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.8 p -80.56 -10.69 59.73 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.772 1.629 . . . . 0.0 114.219 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.696 1.598 . . . . 0.0 112.119 -176.353 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 N-CA-C 112.231 -0.347 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -159.2 165.57 33.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.518 1.927 . . . . 0.0 112.412 -175.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 m -110.82 131.46 55.03 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.638 1.175 . . . . 0.0 110.485 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -96.39 156.85 16.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.094 1.757 . . . . 0.0 110.744 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -95.68 160.8 14.31 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.836 1.255 . . . . 0.0 108.491 168.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.01 -45.92 78.93 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.476 1.035 . . . . 0.0 111.73 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.6 m -61.34 -33.68 74.02 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.91 -46.38 29.46 Favored Glycine 0 C--N 1.339 0.742 0 C-N-CA 124.279 0.942 . . . . 0.0 111.435 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.02 -48.83 78.52 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.131 1.373 . . . . 0.0 112.068 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.9 t -50.52 -45.34 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.008 0.822 . . . . 0.0 110.525 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -69.84 -41.52 74.79 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.123 0.969 . . . . 0.0 113.311 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.01 -41.45 99.56 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.384 1.074 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.81 -37.93 67.35 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.026 0.93 . . . . 0.0 112.224 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -58.54 -40.97 84.45 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.922 0.489 . . . . 0.0 111.91 172.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.57 -33.82 75.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.671 0.788 . . . . 0.0 112.565 172.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -88.97 5.53 43.77 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.962 1.305 . . . . 0.0 114.509 -175.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.36 23.55 21.51 Favored Glycine 0 N--CA 1.473 1.135 0 C-N-CA 124.63 1.11 . . . . 0.0 115.377 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.443 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 6.8 m-85 -88.08 140.85 29.07 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.536 1.168 . . . . 0.0 109.954 174.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -77.97 138.02 38.62 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.493 0.717 . . . . 0.0 111.967 -174.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.59 -26.06 67.73 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 114.15 1.166 . . . . 0.0 114.15 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -83.13 -17.48 42.86 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.4 mt -96.21 -19.38 19.37 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.537 1.135 . . . . 0.0 112.249 173.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.7 tpp -46.55 -45.02 18.41 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.497 1.919 . . . . 0.0 113.3 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -55.77 -48.34 75.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.479 1.112 . . . . 0.0 112.94 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -64.1 -43.09 96.41 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.173 0.589 . . . . 0.0 111.41 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -64.1 -49.51 71.97 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.298 0.639 . . . . 0.0 112.687 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 m -66.67 -33.91 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 119.062 0.846 . . . . 0.0 111.701 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -73.28 -33.36 65.19 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.789 0.722 . . . . 0.0 112.706 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.99 -53.77 44.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.769 1.628 . . . . 0.0 109.888 169.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.5 t -60.17 -40.65 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.034 0.934 . . . . 0.0 111.758 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -62.88 -26.71 68.91 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -86.2 -35.55 20.0 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -78.37 -48.43 15.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.325 0.65 . . . . 0.0 111.867 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -121.65 -12.72 8.46 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m 62.38 32.41 16.88 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.688 0.795 . . . . 0.0 111.612 -167.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 72.9 27.84 2.08 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.052 1.741 . . . . 0.0 112.749 176.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -118.41 115.57 24.93 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.553 1.541 . . . . 0.0 111.838 -175.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.3 p -68.01 -25.06 65.21 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.6 m -75.37 -4.86 41.83 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.4 1.0 . . . . 0.0 113.694 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -77.05 144.57 38.5 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.075 -1.016 . . . . 0.0 113.383 -171.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.1 p -145.05 158.16 43.9 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.688 1.995 . . . . 0.0 111.903 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -152.61 133.09 13.76 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.269 1.428 . . . . 0.0 111.441 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 m -89.58 148.06 23.58 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.117 1.367 . . . . 0.0 110.668 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -110.6 158.74 18.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.646 1.579 . . . . 0.0 112.019 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.57 -23.57 67.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.61 1.164 . . . . 0.0 113.565 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -80.74 -4.36 54.18 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.172 1.389 . . . . 0.0 114.16 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.22 -2.35 83.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.235 1.397 . . . . 0.0 114.714 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.5 p -82.48 165.14 20.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.798 1.239 . . . . 0.0 111.662 170.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -132.69 150.82 52.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.632 1.173 . . . . 0.0 110.937 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -103.23 141.53 35.73 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.727 2.011 . . . . 0.0 109.465 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -137.43 151.16 48.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.386 1.075 . . . . 0.0 113.617 -169.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.49 -152.41 29.12 Favored Glycine 0 N--CA 1.463 0.47 0 C-N-CA 123.749 0.69 . . . . 0.0 114.075 169.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -88.36 -21.76 24.18 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -112.8 10.51 19.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.802 1.641 . . . . 0.0 111.378 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 54.66 52.9 11.4 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.212 1.805 . . . . 0.0 110.927 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.5 mt -81.84 133.09 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.505 1.122 . . . . 0.0 109.109 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.67 137.26 34.0 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -169.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.65 -10.85 21.04 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 116.466 2.025 . . . . 0.0 116.466 -176.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -90.41 -15.81 30.26 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.892 1.277 . . . . 0.0 113.345 -177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -131.15 -52.95 1.04 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -167.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -110.28 -52.51 2.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.512 0.725 . . . . 0.0 112.086 -167.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.83 172.86 7.17 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.384 1.474 . . . . 0.0 111.743 169.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.51 140.77 51.64 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.219 1.008 . . . . 0.0 112.617 176.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -88.91 -11.22 45.14 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -176.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.93 -175.41 32.13 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.26 0.934 . . . . 0.0 112.315 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.1 -1.81 6.67 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -172.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -156.04 145.43 15.23 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 126.284 1.834 . . . . 0.0 109.966 -169.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.95 150.19 88.45 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.225 2.617 . . . . 0.0 110.823 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.64 32.59 0.03 OUTLIER Glycine 0 N--CA 1.475 1.259 0 N-CA-C 118.571 2.188 . . . . 0.0 118.571 -171.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -124.6 -164.36 1.26 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 118.794 1.297 . . . . 0.0 111.716 169.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.72 -31.99 65.06 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -168.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 82.1 m -100.3 4.52 44.15 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 56.98 47.39 17.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.689 1.596 . . . . 0.0 112.143 169.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.3 p -147.0 152.12 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.698 1.599 . . . . 0.0 110.06 -171.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -105.18 136.56 44.47 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.572 1.549 . . . . 0.0 110.134 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.7 m -50.64 -35.21 29.45 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.95 1.3 . . . . 0.0 113.701 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -71.93 -31.65 66.56 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.48 -12.33 61.56 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 120.617 -1.302 . . . . 0.0 112.516 172.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.37 -14.14 55.72 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.473 -0.767 . . . . 0.0 112.248 172.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 mt -96.56 9.56 41.09 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.617 1.567 . . . . 0.0 113.319 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.3 t -89.14 -175.68 4.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.621 1.568 . . . . 0.0 112.335 -173.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -86.16 -4.22 59.12 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -172.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -122.4 124.04 42.74 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.377 1.471 . . . . 0.0 109.484 169.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.0 pt -67.36 -14.69 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 125.046 1.339 . . . . 0.0 113.348 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -51.79 -37.63 52.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.16 1.784 . . . . 0.0 114.871 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -64.84 -29.82 70.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.545 -0.722 . . . . 0.0 112.747 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.16 -40.73 14.34 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.538 1.135 . . . . 0.0 111.489 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.9 89.35 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.52 1.128 . . . . 0.0 113.053 -175.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.29 -33.25 71.33 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.105 -0.997 . . . . 0.0 112.693 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 33.8 t -66.57 -38.51 87.21 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.832 0.853 . . . . 0.0 111.068 171.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.93 85.16 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.333 1.053 . . . . 0.0 112.554 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.443 ' HD3' ' CE1' ' A' ' 18' ' ' PHE . 20.2 mmmt -62.29 -41.75 98.76 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.194 1.361 . . . . 0.0 112.48 171.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -66.51 -25.21 66.58 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.8 mt -74.94 -46.14 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 121.354 -0.841 . . . . 0.0 110.514 168.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -27.25 61.57 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.906 1.282 . . . . 0.0 114.098 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -55.67 -28.91 58.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.18 1.392 . . . . 0.0 114.36 169.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -109.6 -36.41 5.96 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.603 1.561 . . . . 0.0 111.939 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -145.5 88.66 1.87 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.785 1.634 . . . . 0.0 110.649 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -53.46 -40.47 65.29 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -169.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -140.01 -9.85 1.16 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.203 1.401 . . . . 0.0 113.106 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.62 -16.11 60.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.761 1.224 . . . . 0.0 114.176 -170.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.76 -8.39 55.18 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.488 1.115 . . . . 0.0 113.584 173.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 25.6 m-90 -118.3 140.73 49.38 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.589 1.556 . . . . 0.0 112.245 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -89.56 -30.66 18.05 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.029 0.932 . . . . 0.0 113.202 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.44 -35.22 81.33 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.747 0.689 . . . . 0.0 112.901 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -63.86 -42.93 97.44 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.996 -0.708 . . . . 0.0 112.7 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -77.45 -10.15 59.3 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.113 -0.992 . . . . 0.0 113.662 173.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -85.33 -36.0 21.08 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.358 1.063 . . . . 0.0 113.421 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.21 -14.18 0.7 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 118.181 2.66 . . . . 0.0 118.181 -174.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 74.5 m -78.94 -5.82 54.68 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.436 1.471 . . . . 0.0 113.746 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -80.98 -24.05 38.31 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.354 1.062 . . . . 0.0 112.93 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.23 -37.64 6.61 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.068 0.842 . . . . 0.0 113.607 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.1 t -170.03 155.85 5.76 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.748 1.619 . . . . 0.0 111.122 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -121.27 151.27 55.65 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.774 1.63 . . . . 0.0 111.735 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.62 153.65 69.31 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.84 3.027 . . . . 0.0 111.582 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -77.56 142.16 39.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.932 0.893 . . . . 0.0 111.577 170.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.6 pt -131.78 -1.1 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.414 1.886 . . . . 0.0 113.0 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.2 p -67.57 -10.23 50.0 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -175.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.5 p -84.88 -11.52 55.44 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.904 1.682 . . . . 0.0 114.038 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.9 m . . . . . 0 C--O 1.251 1.145 0 C-N-CA 125.83 1.652 . . . . 0.0 112.193 -177.088 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 CA-C-O 121.681 0.6 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -157.27 164.79 37.29 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 128.137 2.575 . . . . 0.0 112.379 -174.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m -101.78 138.57 38.58 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.362 1.465 . . . . 0.0 110.644 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -103.0 154.53 19.15 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.467 1.907 . . . . 0.0 110.334 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.9 t -95.52 159.64 14.9 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.133 1.373 . . . . 0.0 108.965 169.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.48 -49.04 75.83 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.247 0.93 . . . . 0.0 112.093 -172.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 p -63.78 -31.44 72.62 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.49 -45.73 58.64 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.19 0.9 . . . . 0.0 111.445 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.24 -49.95 73.7 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.188 1.395 . . . . 0.0 111.705 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.21 -46.71 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.128 0.971 . . . . 0.0 110.545 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -68.67 -42.95 77.17 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.48 -40.84 98.17 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.116 0.967 . . . . 0.0 111.255 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -71.89 -39.36 69.64 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.712 0.805 . . . . 0.0 112.032 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -57.33 -40.79 78.7 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.294 0.497 . . . . 0.0 111.808 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -67.65 -35.75 79.47 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.053 0.941 . . . . 0.0 112.531 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -87.75 5.24 40.92 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.196 1.398 . . . . 0.0 114.482 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.62 32.36 8.17 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.612 1.101 . . . . 0.0 114.829 169.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -97.66 131.84 43.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.832 1.253 . . . . 0.0 109.478 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.44 137.82 57.71 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.886 0.874 . . . . 0.0 113.066 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.64 -29.42 70.61 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -75.49 -15.34 60.42 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 175.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.8 mt -104.33 -13.63 16.06 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.4 1.48 . . . . 0.0 112.771 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.9 tpp -52.94 -43.12 66.05 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.216 1.406 . . . . 0.0 112.957 -173.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -55.97 -48.15 76.35 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.264 1.026 . . . . 0.0 112.469 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -61.36 -47.5 85.59 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.564 0.746 . . . . 0.0 110.604 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.9 m95 -63.1 -50.32 71.0 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.739 0.816 . . . . 0.0 112.5 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.61 -35.44 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 119.375 0.989 . . . . 0.0 111.906 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.39 -37.0 74.45 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.839 0.745 . . . . 0.0 112.206 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.65 -51.86 63.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.354 1.462 . . . . 0.0 110.616 171.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.9 t -57.94 -39.03 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.484 -0.76 . . . . 0.0 111.788 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.5 -26.87 66.57 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -34.16 38.34 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.927 1.24 . . . . 0.0 112.029 173.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.02 -60.77 2.11 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.926 0.891 . . . . 0.0 111.881 -173.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.8 p -112.11 -7.55 14.07 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.213 -0.93 . . . . 0.0 113.11 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 m 62.05 24.11 14.31 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.66 1.184 . . . . 0.0 112.411 -169.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.1 mtm-85 73.27 28.72 1.78 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.032 1.733 . . . . 0.0 112.578 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -117.29 115.55 25.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.915 1.286 . . . . 0.0 112.157 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.9 p -66.09 -25.4 67.0 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -79.48 -6.98 58.09 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -73.15 140.66 47.21 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.82 -1.175 . . . . 0.0 112.901 -172.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.8 p -137.55 158.66 43.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.975 1.71 . . . . 0.0 111.584 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -149.48 131.83 15.6 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.979 1.311 . . . . 0.0 111.46 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.1 m -87.67 147.31 25.31 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.878 1.271 . . . . 0.0 110.146 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -110.31 157.72 19.19 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.583 1.553 . . . . 0.0 111.791 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -62.6 -23.87 67.27 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.481 1.112 . . . . 0.0 113.355 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -77.89 -7.49 56.79 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.492 1.517 . . . . 0.0 113.788 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.42 1.16 72.09 Favored Glycine 0 N--CA 1.475 1.277 0 C-N-CA 125.356 1.455 . . . . 0.0 114.9 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.8 p -87.26 165.35 15.73 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.374 1.47 . . . . 0.0 111.891 171.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -129.75 151.71 50.03 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.482 1.113 . . . . 0.0 111.287 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -102.86 145.36 29.91 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.496 1.919 . . . . 0.0 110.312 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -142.08 148.2 38.02 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.982 1.313 . . . . 0.0 113.276 -171.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.46 -177.51 48.98 Favored Glycine 0 N--CA 1.468 0.809 0 C-N-CA 123.816 0.722 . . . . 0.0 114.199 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.99 -23.7 67.43 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -168.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -104.33 7.22 35.68 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.469 1.108 . . . . 0.0 111.971 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 51.85 58.57 5.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.066 1.746 . . . . 0.0 111.384 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.7 mt -83.04 134.93 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 125.524 1.53 . . . . 0.0 109.336 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -96.91 140.24 31.76 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.35 -8.36 18.05 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -113.05 1.07 15.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.199 1.8 . . . . 0.0 112.65 -176.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -129.39 -41.96 1.35 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -172.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -144.56 -36.64 0.32 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -168.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -108.36 168.25 9.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.287 1.035 . . . . 0.0 112.15 168.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.35 138.6 53.64 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.804 1.241 . . . . 0.0 112.552 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -84.43 -15.2 47.02 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.34 -166.65 29.74 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.111 0.862 . . . . 0.0 112.989 -172.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.38 7.09 8.56 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -156.48 145.0 14.58 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.83 1.652 . . . . 0.0 110.363 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.71 160.43 48.21 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.589 2.859 . . . . 0.0 111.634 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.72 70.89 0.03 OUTLIER Glycine 0 N--CA 1.471 0.975 0 O-C-N 121.948 -0.47 . . . . 0.0 114.049 -174.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -151.48 -178.34 6.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 127.593 2.357 . . . . 0.0 110.0 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -59.9 -31.81 70.16 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.841 0.856 . . . . 0.0 112.971 174.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.3 m -93.84 -1.58 54.67 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 52.87 52.2 14.4 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.996 1.719 . . . . 0.0 112.685 170.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.49 146.48 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.624 1.17 . . . . 0.0 111.119 -171.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -101.35 135.0 43.56 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.11 1.764 . . . . 0.0 110.696 -174.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.8 m -48.82 -38.62 22.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.432 1.493 . . . . 0.0 114.348 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -77.16 -24.42 51.51 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.457 -0.777 . . . . 0.0 112.813 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.6 -11.15 60.53 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.722 -1.236 . . . . 0.0 112.211 170.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.4 mt -82.4 -9.82 59.3 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.099 -1.001 . . . . 0.0 112.587 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.0 mt -97.22 8.78 43.85 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.608 1.563 . . . . 0.0 112.62 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.5 p -69.13 162.8 26.23 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.125 1.77 . . . . 0.0 112.365 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -77.01 -1.68 30.06 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -120.89 127.79 52.2 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.235 1.814 . . . . 0.0 107.632 167.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.3 pt -68.8 -12.58 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 125.27 1.428 . . . . 0.0 113.446 -174.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.7 t -51.8 -39.37 58.57 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.982 1.713 . . . . 0.0 114.797 -169.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -64.2 -29.81 70.9 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.275 -0.891 . . . . 0.0 112.839 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.3 -41.97 15.05 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.389 1.075 . . . . 0.0 111.491 172.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.46 98.78 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.368 1.067 . . . . 0.0 113.106 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.37 -35.56 81.34 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.066 -1.022 . . . . 0.0 112.613 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 43.3 t -68.72 -39.98 80.17 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.489 0.715 . . . . 0.0 111.183 171.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.3 -37.12 76.9 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.056 0.942 . . . . 0.0 113.001 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -61.77 -44.02 97.7 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.143 1.338 . . . . 0.0 112.588 170.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -68.38 -24.97 64.84 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.314 -0.866 . . . . 0.0 112.836 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 96.2 mt -71.77 -48.11 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.416 -0.802 . . . . 0.0 110.231 168.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.5 -30.72 63.33 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.64 1.176 . . . . 0.0 113.371 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -57.51 -19.25 23.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.936 2.094 . . . . 0.0 115.502 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -115.86 -37.79 3.82 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.852 1.661 . . . . 0.0 111.872 174.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -145.6 91.86 2.16 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.189 1.796 . . . . 0.0 110.372 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -51.41 -41.73 60.96 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -170.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -142.03 -11.21 0.87 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.216 1.406 . . . . 0.0 113.242 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.83 -13.34 61.27 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.845 1.258 . . . . 0.0 113.915 -172.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.46 -7.21 41.6 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.439 1.096 . . . . 0.0 113.668 172.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.6 m-90 -128.71 123.01 31.97 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.438 1.495 . . . . 0.0 111.37 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -74.25 -35.24 63.81 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -167.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.86 -25.5 74.18 Favored Glycine 0 N--CA 1.473 1.111 0 O-C-N 121.483 -0.76 . . . . 0.0 113.476 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -67.43 -44.97 77.43 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.437 1.119 . . . . 0.0 111.194 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -80.91 -15.81 55.29 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -98.37 -32.79 11.33 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -127.31 -33.31 2.38 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.1 m -84.26 0.95 46.99 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -76.43 -32.41 58.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.854 0.861 . . . . 0.0 112.792 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.5 -30.35 19.12 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 123.739 0.685 . . . . 0.0 114.032 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.8 m -153.56 132.45 12.43 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.278 1.431 . . . . 0.0 111.206 -174.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.2 mt -121.06 150.57 53.69 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.778 1.631 . . . . 0.0 110.778 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -71.85 153.96 58.59 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.608 2.872 . . . . 0.0 111.271 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -77.41 142.1 39.43 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.896 0.879 . . . . 0.0 111.403 170.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 44.8 pt -129.86 -1.71 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.33 1.852 . . . . 0.0 113.07 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.3 p -68.16 -10.65 55.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 p -86.33 -10.66 54.0 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.964 1.706 . . . . 0.0 114.083 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.251 1.14 0 C-N-CA 126.017 1.727 . . . . 0.0 112.142 -176.302 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.051 0 N-CA-C 111.996 -0.441 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -155.23 164.21 39.11 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.745 1.618 . . . . 0.0 112.62 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -107.36 132.7 52.86 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.727 1.211 . . . . 0.0 110.696 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -97.79 157.45 16.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.17 1.788 . . . . 0.0 110.748 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.7 t -96.87 159.87 14.67 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.011 1.324 . . . . 0.0 108.652 168.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -55.8 -45.9 78.14 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.502 1.046 . . . . 0.0 112.014 -175.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m -61.34 -35.09 76.45 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.31 42.48 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 124.162 0.887 . . . . 0.0 111.579 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.69 -49.02 76.76 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.105 1.362 . . . . 0.0 112.067 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.9 t -49.98 -45.86 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.764 0.826 . . . . 0.0 110.444 173.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -69.24 -41.31 77.14 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.885 0.874 . . . . 0.0 113.228 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.39 -42.22 98.8 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.279 1.032 . . . . 0.0 111.148 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.3 mt -72.07 -37.79 69.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.867 0.867 . . . . 0.0 111.965 176.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.61 -41.24 85.41 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.805 -0.559 . . . . 0.0 112.005 172.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -67.89 -35.01 77.76 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.617 0.767 . . . . 0.0 112.578 172.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -86.8 2.93 47.21 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.41 34.98 7.16 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 124.436 1.017 . . . . 0.0 114.415 170.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -91.13 154.59 19.25 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.229 1.012 . . . . 0.0 111.599 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -76.36 121.46 23.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.412 1.485 . . . . 0.0 110.295 -171.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.17 -27.63 69.1 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -81.45 -12.92 58.74 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.294 1.038 . . . . 0.0 113.726 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 mt -106.89 -3.37 20.34 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.575 1.15 . . . . 0.0 113.013 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.5 tpp -53.1 -41.22 64.77 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.879 1.218 . . . . 0.0 112.504 -174.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -55.71 -49.44 73.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.476 1.11 . . . . 0.0 112.345 172.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -60.49 -46.87 88.52 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.527 1.131 . . . . 0.0 110.691 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -64.7 -49.7 69.87 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.518 1.127 . . . . 0.0 112.391 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 m -66.17 -33.91 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.154 0.888 . . . . 0.0 111.874 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -70.86 -43.73 67.86 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.603 0.638 . . . . 0.0 112.05 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.14 -53.8 45.1 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.317 1.447 . . . . 0.0 110.337 169.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.3 t -61.58 -41.28 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.759 0.823 . . . . 0.0 111.927 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -62.61 -35.41 79.47 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -86.79 -19.76 28.56 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -85.39 -60.91 1.89 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.92 0.888 . . . . 0.0 111.814 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.1 p -113.31 -9.56 13.39 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -171.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m 67.07 23.05 9.77 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.367 1.467 . . . . 0.0 112.993 -169.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 72.22 26.77 2.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.668 1.587 . . . . 0.0 112.148 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -118.4 118.64 32.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.31 1.444 . . . . 0.0 111.167 -175.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.0 p -68.17 -26.08 65.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 119.151 -0.452 . . . . 0.0 112.122 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.9 m -78.74 -5.79 54.16 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -71.37 144.98 49.67 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.82 -1.175 . . . . 0.0 112.485 -175.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.6 p -142.87 159.94 41.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.592 1.557 . . . . 0.0 112.073 173.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -148.95 137.96 21.44 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.533 1.533 . . . . 0.0 111.036 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 m -94.57 142.24 27.67 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.642 1.177 . . . . 0.0 110.468 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -95.45 157.15 16.02 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.661 1.584 . . . . 0.0 111.669 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.7 mtm105 -61.7 -24.39 66.74 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.376 1.071 . . . . 0.0 113.28 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -84.85 -3.34 58.62 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.429 1.492 . . . . 0.0 114.211 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.37 -2.76 71.38 Favored Glycine 0 N--CA 1.475 1.234 0 C-N-CA 125.128 1.347 . . . . 0.0 115.265 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.1 p -81.78 168.78 17.66 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.746 1.273 . . . . 0.0 111.468 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -134.58 157.62 46.1 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.51 -1.369 . . . . 0.0 111.517 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -109.32 141.57 41.46 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 126.851 2.061 . . . . 0.0 109.597 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.7 148.66 41.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.246 1.018 . . . . 0.0 113.511 -169.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.56 -176.82 52.06 Favored Glycine 0 N--CA 1.468 0.767 0 CA-C-O 121.998 0.776 . . . . 0.0 113.908 172.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -20.7 66.55 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -168.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -107.61 8.16 29.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.662 1.185 . . . . 0.0 111.717 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 51.15 58.67 5.29 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.777 1.631 . . . . 0.0 111.258 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.402 HD13 ' SG ' ' A' ' 90' ' ' CYS . 14.5 mt -82.86 130.67 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 125.327 1.451 . . . . 0.0 109.472 -171.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.25 134.42 34.91 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.418 0.687 . . . . 0.0 111.95 -170.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.48 -9.02 15.85 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.9 ttp180 -85.13 -16.21 41.24 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.809 2.044 . . . . 0.0 113.398 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -136.9 -48.59 0.61 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -168.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -113.08 -50.02 2.89 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -167.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 p -101.19 166.18 10.91 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.235 1.414 . . . . 0.0 113.073 173.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.4 t -110.99 130.94 55.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.478 1.511 . . . . 0.0 111.982 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -81.62 -14.09 57.15 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.19 -167.34 33.37 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.178 0.894 . . . . 0.0 112.571 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.21 7.66 6.03 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.5 t -156.51 142.29 12.79 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 125.263 1.425 . . . . 0.0 110.862 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -65.51 147.49 86.81 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.377 2.718 . . . . 0.0 110.571 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.64 43.64 0.03 OUTLIER Glycine 0 N--CA 1.473 1.116 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 -171.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -132.42 -169.64 2.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.986 1.314 . . . . 0.0 110.451 168.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.3 -25.54 61.96 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -168.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.7 m -103.29 4.68 36.81 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.8 m120 58.98 43.52 17.68 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.509 1.524 . . . . 0.0 112.799 168.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.8 p -147.35 147.47 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.4 1.48 . . . . 0.0 110.458 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -97.85 134.64 40.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.281 1.432 . . . . 0.0 110.538 -176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 81.8 m -49.64 -36.57 25.06 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.412 1.485 . . . . 0.0 113.943 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.1 t -70.62 -29.2 65.51 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -71.89 -18.9 62.01 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.765 -1.209 . . . . 0.0 112.162 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.3 mt -74.74 -14.29 60.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.855 0.862 . . . . 0.0 112.464 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt -94.6 8.56 41.9 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.787 1.635 . . . . 0.0 112.819 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.1 p -76.69 177.41 7.57 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.466 1.506 . . . . 0.0 111.996 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -88.5 9.42 23.8 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.725 1.21 . . . . 0.0 113.702 -174.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -132.09 125.41 31.28 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.971 1.709 . . . . 0.0 108.322 169.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.2 pt -66.76 -14.4 17.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.769 1.228 . . . . 0.0 113.137 -174.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.8 t -53.12 -36.35 60.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.283 1.833 . . . . 0.0 114.623 -169.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -62.48 -32.88 73.85 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.61 -0.682 . . . . 0.0 112.19 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.13 -39.82 15.19 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.701 1.2 . . . . 0.0 111.53 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.4 -40.85 85.64 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.174 0.99 . . . . 0.0 113.393 -175.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -70.21 -33.38 71.63 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.036 -1.04 . . . . 0.0 112.538 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.402 ' SG ' HD13 ' A' ' 56' ' ' ILE . 30.4 t -66.3 -39.46 89.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.852 0.861 . . . . 0.0 111.129 171.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.72 83.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.52 1.128 . . . . 0.0 112.932 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -61.4 -42.94 99.53 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.27 1.395 . . . . 0.0 112.232 171.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -67.63 -22.3 65.34 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 94.2 mt -77.78 -46.86 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.443 -0.786 . . . . 0.0 110.483 168.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -28.41 62.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.696 1.198 . . . . 0.0 113.607 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -57.23 -23.31 47.15 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.84 1.656 . . . . 0.0 114.693 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -113.62 -37.53 4.57 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.919 1.688 . . . . 0.0 111.901 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -144.92 88.25 1.89 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.184 1.794 . . . . 0.0 110.53 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -53.79 -39.47 65.47 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -170.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -139.93 -14.49 1.05 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.11 1.364 . . . . 0.0 113.251 173.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.66 -14.34 62.43 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -173.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.28 -9.07 58.32 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 170.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -131.82 110.81 11.1 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.766 1.227 . . . . 0.0 113.036 -174.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -30.65 65.18 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.403 1.481 . . . . 0.0 112.488 171.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -56.81 -21.36 36.42 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.334 1.445 . . . . 0.0 112.953 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -93.45 -63.0 1.26 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 117.895 0.848 . . . . 0.0 111.102 167.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -65.2 -19.34 65.93 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -169.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -99.12 -4.03 33.2 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -135.64 -28.28 1.12 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -171.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 70.9 m -89.64 6.23 42.22 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.176 1.39 . . . . 0.0 114.054 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -74.22 -25.53 59.71 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.484 1.113 . . . . 0.0 112.855 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.16 -53.35 2.84 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 124.209 0.909 . . . . 0.0 112.615 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.7 t -169.16 170.14 8.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.854 1.662 . . . . 0.0 111.219 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 80.9 mt -120.86 154.28 57.52 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 126.368 1.867 . . . . 0.0 112.11 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -67.87 156.08 67.31 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.844 3.029 . . . . 0.0 111.551 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -81.32 152.31 27.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.431 1.093 . . . . 0.0 112.56 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.8 pt -133.33 -4.13 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.869 2.067 . . . . 0.0 113.346 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.1 m -69.62 -8.81 50.74 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.653 -1.279 . . . . 0.0 114.107 -174.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.7 p -86.22 -9.16 57.07 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.945 1.698 . . . . 0.0 113.952 170.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.034 1.733 . . . . 0.0 112.472 -173.296 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.104 0 N-CA-C 111.869 -0.492 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -156.08 165.31 36.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.876 1.671 . . . . 0.0 112.319 -170.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 m -111.76 126.29 54.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.423 1.089 . . . . 0.0 110.128 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -89.64 157.22 18.11 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.5 1.52 . . . . 0.0 110.878 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 t -95.3 161.92 13.89 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.966 1.306 . . . . 0.0 108.702 168.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -56.54 -49.48 74.67 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.314 0.961 . . . . 0.0 112.101 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -60.66 -38.22 84.16 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.657 -0.652 . . . . 0.0 112.512 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.69 -46.83 88.73 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 123.983 0.801 . . . . 0.0 111.687 174.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.58 -49.24 76.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.018 1.327 . . . . 0.0 111.931 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -49.43 -46.6 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.99 0.916 . . . . 0.0 110.422 173.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -69.08 -40.82 78.21 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.932 0.893 . . . . 0.0 113.085 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.12 -42.51 96.81 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.388 1.075 . . . . 0.0 110.889 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.96 -37.67 69.89 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.249 1.019 . . . . 0.0 112.29 176.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -57.7 -41.51 81.83 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.954 0.501 . . . . 0.0 111.888 172.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.46 -33.87 76.03 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.544 0.737 . . . . 0.0 112.606 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -87.56 4.65 42.82 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.963 1.305 . . . . 0.0 114.419 -175.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.83 21.63 27.93 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.639 1.114 . . . . 0.0 115.025 169.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 9.5 m-85 -83.91 139.87 32.33 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.447 1.123 . . . . 0.0 109.831 173.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -75.88 137.1 40.2 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.36 0.664 . . . . 0.0 111.888 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.32 -27.77 68.73 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -80.99 -15.97 54.72 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 175.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.4 mt -98.76 -13.9 19.98 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.776 1.231 . . . . 0.0 112.489 173.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -51.51 -41.82 61.27 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.282 1.433 . . . . 0.0 113.014 -173.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -55.78 -49.86 72.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.742 0.817 . . . . 0.0 112.11 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -61.82 -45.52 93.46 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.878 0.871 . . . . 0.0 110.523 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -64.47 -49.92 69.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.483 0.713 . . . . 0.0 112.737 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 m -66.68 -35.49 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.313 0.96 . . . . 0.0 111.706 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.8 -41.42 71.62 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.754 0.706 . . . . 0.0 111.833 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -55.61 -54.28 46.03 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.099 1.36 . . . . 0.0 110.006 170.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.99 -39.99 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.359 0.664 . . . . 0.0 111.866 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -64.81 -31.59 72.89 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -92.31 -15.17 27.73 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -87.66 -67.69 0.81 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.858 1.263 . . . . 0.0 111.408 173.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.3 p -107.17 -12.61 15.35 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.6 m 65.22 33.89 8.91 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.08 1.352 . . . . 0.0 112.998 -169.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.3 mtm-85 71.66 27.15 2.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.877 1.671 . . . . 0.0 112.496 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -118.45 115.11 23.96 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.426 1.49 . . . . 0.0 111.617 -173.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -71.16 -24.28 62.22 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.4 m -77.53 -2.06 33.67 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.545 1.066 . . . . 0.0 113.222 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.93 142.73 38.19 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.618 1.167 . . . . 0.0 113.016 -172.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 p -145.96 154.0 41.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.998 2.119 . . . . 0.0 111.004 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -150.82 123.87 8.76 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.455 0.702 . . . . 0.0 111.656 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.6 m -86.21 144.64 27.35 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.058 1.343 . . . . 0.0 110.142 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -118.03 159.83 22.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.558 1.543 . . . . 0.0 111.741 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -62.87 -23.41 67.3 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.438 1.095 . . . . 0.0 113.725 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -77.51 -7.85 56.89 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.26 1.424 . . . . 0.0 113.733 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.51 1.73 74.13 Favored Glycine 0 N--CA 1.475 1.236 0 C-N-CA 125.628 1.585 . . . . 0.0 114.728 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 p -88.27 163.04 16.29 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.171 1.388 . . . . 0.0 111.859 171.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -124.84 147.15 48.91 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.869 1.268 . . . . 0.0 110.95 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.61 149.21 21.7 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.828 1.651 . . . . 0.0 110.666 171.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -143.03 144.84 32.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.667 1.587 . . . . 0.0 112.836 -171.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.29 -176.31 53.5 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-O 122.196 0.886 . . . . 0.0 114.91 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.09 -27.25 69.26 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -168.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -103.09 11.03 37.66 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.097 0.959 . . . . 0.0 111.62 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 54.63 53.01 11.23 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.18 1.392 . . . . 0.0 110.58 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.6 mt -86.46 131.33 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.052 1.341 . . . . 0.0 110.003 -170.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -96.04 140.39 30.84 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -63.04 -10.17 13.08 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 -176.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -110.02 1.12 18.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.03 1.732 . . . . 0.0 112.766 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -130.19 -42.73 1.2 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -171.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -144.58 -36.76 0.31 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -168.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.0 p -109.38 168.02 9.69 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.433 1.093 . . . . 0.0 111.418 168.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.39 138.96 52.74 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.624 1.169 . . . . 0.0 112.399 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -91.54 -10.2 41.54 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.486 1.661 . . . . 0.0 115.486 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.68 -156.5 9.59 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 123.661 0.648 . . . . 0.0 113.534 -169.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.45 1.46 22.13 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -159.98 156.75 24.47 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 126.31 1.844 . . . . 0.0 111.235 -176.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -68.29 161.66 43.72 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.587 2.858 . . . . 0.0 110.74 169.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 163.52 73.95 0.03 OUTLIER Glycine 0 N--CA 1.473 1.105 0 O-C-N 121.994 -0.441 . . . . 0.0 114.121 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -153.58 -177.86 6.64 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.569 2.348 . . . . 0.0 110.363 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.39 -35.64 63.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.363 1.065 . . . . 0.0 112.808 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 63.7 m -97.24 -0.07 47.35 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 53.54 49.89 18.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.601 1.56 . . . . 0.0 113.048 169.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.4 p -147.78 143.9 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.599 1.16 . . . . 0.0 111.412 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -96.94 135.8 38.41 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.569 1.547 . . . . 0.0 111.307 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 72.6 m -48.41 -37.45 17.04 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.101 1.76 . . . . 0.0 114.308 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -70.24 -32.5 70.38 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.7 -16.27 63.31 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.763 -1.211 . . . . 0.0 112.923 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.0 mt -77.26 -13.29 59.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.057 0.943 . . . . 0.0 112.554 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.3 mt -96.24 5.75 50.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.452 1.501 . . . . 0.0 113.343 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -78.33 179.06 7.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.169 1.388 . . . . 0.0 111.823 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -85.83 16.23 4.23 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.853 1.261 . . . . 0.0 113.144 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.56 123.16 13.26 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.237 2.215 . . . . 0.0 109.715 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.3 pt -78.02 -13.34 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -169.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.46 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -62.5 -26.88 68.78 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -166.316 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -65.06 -32.28 73.92 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.016 -1.052 . . . . 0.0 112.113 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.04 -39.25 18.23 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.259 1.023 . . . . 0.0 111.281 174.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 85' ' ' THR . . . -69.3 -40.19 77.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.968 0.907 . . . . 0.0 113.095 -176.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -67.07 -35.37 79.69 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.977 -1.077 . . . . 0.0 112.428 173.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.8 t -65.1 -40.77 95.02 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.794 0.837 . . . . 0.0 110.744 172.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.11 -35.93 76.32 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.237 1.015 . . . . 0.0 112.798 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.405 ' HD3' ' CE1' ' A' ' 18' ' ' PHE . 19.9 mmmt -64.82 -43.24 93.76 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.217 1.371 . . . . 0.0 112.625 172.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -68.47 -22.79 64.54 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.321 -0.862 . . . . 0.0 112.853 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 93.6 mt -74.26 -47.3 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 121.305 -0.872 . . . . 0.0 109.913 167.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -28.88 63.4 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.675 1.19 . . . . 0.0 113.995 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -56.29 -26.11 50.75 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.294 1.438 . . . . 0.0 114.559 169.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -112.48 -32.74 6.38 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.162 1.785 . . . . 0.0 112.629 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -148.45 81.38 1.46 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.083 2.153 . . . . 0.0 110.039 -173.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -38.66 42.79 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -168.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -141.6 -1.86 1.26 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.667 1.187 . . . . 0.0 113.063 169.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.63 -18.17 57.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.225 1.81 . . . . 0.0 114.492 -168.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.91 -3.87 37.8 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.779 1.232 . . . . 0.0 113.708 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -123.85 147.91 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.018 1.727 . . . . 0.0 111.703 -176.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -89.85 -39.8 12.84 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.643 0.777 . . . . 0.0 113.049 -171.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.39 -29.81 75.67 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 124.059 0.838 . . . . 0.0 113.053 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -64.1 -43.96 93.77 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 117.879 0.839 . . . . 0.0 113.007 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -89.62 -16.5 30.38 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -98.32 -22.5 16.08 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -133.23 -45.86 0.84 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 30.2 m -70.55 -7.7 45.78 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -172.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -73.64 -22.54 59.95 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.982 0.913 . . . . 0.0 112.696 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.54 -35.74 16.07 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 123.741 0.686 . . . . 0.0 113.552 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 t -170.98 150.04 3.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.805 1.642 . . . . 0.0 111.116 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.9 mt -119.5 149.18 47.34 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 125.755 1.622 . . . . 0.0 110.96 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -74.69 166.76 28.62 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.911 3.074 . . . . 0.0 111.621 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -77.31 147.81 36.01 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.756 0.822 . . . . 0.0 112.719 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 49.7 pt -127.79 -6.05 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.515 1.526 . . . . 0.0 113.483 169.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.5 m -69.93 -21.5 63.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.012 1.278 . . . . 0.0 112.645 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.7 t -80.95 -4.52 55.27 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.442 1.097 . . . . 0.0 113.358 169.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 C--O 1.249 1.065 0 C-N-CA 125.473 1.509 . . . . 0.0 112.43 -176.258 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.046 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -154.61 164.17 39.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.078 1.751 . . . . 0.0 112.546 -172.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 m -112.99 131.57 55.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.71 1.204 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -95.6 160.61 14.42 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.712 1.605 . . . . 0.0 111.482 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -102.79 161.63 13.58 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.487 1.515 . . . . 0.0 107.857 166.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -57.54 -44.12 84.93 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.163 0.892 . . . . 0.0 111.925 -174.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.68 -26.63 68.75 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.92 -49.26 6.53 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.499 1.047 . . . . 0.0 111.197 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.47 -46.59 89.4 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.663 1.185 . . . . 0.0 112.355 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.3 t -51.7 -44.28 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.251 0.932 . . . . 0.0 110.717 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -70.99 -42.49 69.6 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.148 0.979 . . . . 0.0 112.912 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.25 -41.38 96.81 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.016 1.326 . . . . 0.0 111.134 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -75.29 -40.77 58.34 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.052 0.941 . . . . 0.0 112.252 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -54.99 -41.96 71.87 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.512 0.596 . . . . 0.0 111.589 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -68.59 -38.24 80.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.736 1.614 . . . . 0.0 112.738 174.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -83.49 0.01 48.26 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.07 40.73 3.68 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 124.716 1.151 . . . . 0.0 114.559 171.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -106.43 140.04 39.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.163 1.385 . . . . 0.0 109.624 173.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -77.18 137.61 38.97 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.256 0.623 . . . . 0.0 112.092 -172.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.4 -26.83 68.11 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -82.55 -15.16 53.32 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.1 mt -100.11 -13.05 19.15 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.937 1.295 . . . . 0.0 112.417 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.5 tpp -52.34 -43.74 64.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.372 1.469 . . . . 0.0 113.101 -173.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -55.18 -49.35 72.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.113 0.965 . . . . 0.0 112.221 174.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.04 -45.12 96.07 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.817 0.847 . . . . 0.0 110.779 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -66.11 -48.98 69.13 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.848 0.859 . . . . 0.0 112.777 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 m -66.29 -34.36 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.486 1.039 . . . . 0.0 111.747 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.6 t -70.01 -43.12 72.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.459 0.572 . . . . 0.0 111.831 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -54.42 -55.22 30.97 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.162 1.385 . . . . 0.0 110.245 169.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.4 t -61.58 -41.15 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.873 0.869 . . . . 0.0 112.391 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -63.1 -41.86 99.47 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.331 0.514 . . . . 0.0 112.164 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -81.58 -19.11 42.63 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -85.61 -56.95 3.26 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.067 0.947 . . . . 0.0 111.899 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 m -124.79 -0.95 7.94 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -169.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m 65.61 21.22 11.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.644 1.578 . . . . 0.0 113.183 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 63.9 28.47 14.57 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.98 1.712 . . . . 0.0 113.252 -171.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -110.93 118.83 37.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.162 1.385 . . . . 0.0 110.3 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.1 p -68.51 -26.57 65.51 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 119.171 -0.442 . . . . 0.0 111.99 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.9 m -77.93 -3.97 44.51 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -73.35 142.36 47.06 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.958 -1.089 . . . . 0.0 113.023 -173.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.5 p -145.21 155.4 43.23 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.14 1.776 . . . . 0.0 111.965 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -148.0 130.97 16.22 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.036 1.334 . . . . 0.0 111.319 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.9 m -87.89 144.3 26.65 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.907 1.283 . . . . 0.0 110.174 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -108.49 157.95 17.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.111 1.364 . . . . 0.0 111.533 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.77 -23.83 66.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.459 1.104 . . . . 0.0 113.311 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -68.83 -18.55 64.19 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.705 1.602 . . . . 0.0 114.136 173.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.32 -1.78 70.2 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.223 1.392 . . . . 0.0 114.267 -175.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.4 p -85.79 158.93 19.87 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.131 1.372 . . . . 0.0 111.21 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -126.37 152.46 46.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.685 1.194 . . . . 0.0 111.102 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -101.25 145.01 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 126.711 2.004 . . . . 0.0 109.946 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -143.64 150.23 38.45 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.019 1.327 . . . . 0.0 113.233 -172.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.98 -177.95 47.26 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 121.634 -0.666 . . . . 0.0 113.859 172.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.94 -13.85 60.5 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 -169.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -114.77 14.12 17.39 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.864 1.265 . . . . 0.0 111.388 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 45.23 58.94 3.78 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.275 1.83 . . . . 0.0 111.784 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.418 HD13 ' SG ' ' A' ' 90' ' ' CYS . 12.5 mt -83.74 130.3 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.937 1.295 . . . . 0.0 110.074 -171.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -91.31 138.35 31.65 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -66.61 -10.41 45.45 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -83.93 -18.59 36.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.327 1.051 . . . . 0.0 113.146 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -132.64 -58.25 0.93 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -167.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -100.73 -52.22 3.38 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.737 0.815 . . . . 0.0 112.899 -167.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -101.38 162.7 12.71 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.313 1.445 . . . . 0.0 111.744 169.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.9 t -110.27 137.33 48.15 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.868 1.667 . . . . 0.0 112.685 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -10.94 59.76 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 176.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.18 -167.9 21.85 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.07 0.843 . . . . 0.0 113.453 -171.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.72 -9.72 59.69 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.5 m -140.31 152.12 66.08 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.418 1.887 . . . . 0.0 110.779 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -68.6 154.31 71.78 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.425 2.75 . . . . 0.0 110.875 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.34 41.16 0.02 OUTLIER Glycine 0 N--CA 1.475 1.264 0 N-CA-C 116.03 1.172 . . . . 0.0 116.03 -174.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -128.54 -173.3 2.92 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.331 1.853 . . . . 0.0 110.305 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.44 -26.44 61.18 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -169.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 63.3 m -106.16 7.1 31.46 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.571 1.149 . . . . 0.0 113.906 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.25 48.84 16.44 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.867 1.667 . . . . 0.0 112.521 172.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -151.06 152.67 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.409 1.484 . . . . 0.0 110.518 -171.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -106.58 136.4 46.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.135 1.774 . . . . 0.0 110.97 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.1 m -50.93 -36.64 39.58 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.174 1.389 . . . . 0.0 114.057 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -71.53 -32.01 67.69 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -71.17 -16.06 62.51 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.809 -1.182 . . . . 0.0 112.605 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.89 -13.92 60.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.386 0.675 . . . . 0.0 112.74 173.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.9 mt -94.97 8.84 41.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.361 1.464 . . . . 0.0 112.854 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.5 p -75.92 177.84 6.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.884 1.674 . . . . 0.0 112.131 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -90.66 12.19 19.76 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.927 1.291 . . . . 0.0 113.738 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -134.84 125.7 27.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.043 1.737 . . . . 0.0 108.295 169.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 pt -67.65 -13.67 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.485 1.114 . . . . 0.0 113.163 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -53.79 -35.66 61.6 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.086 1.754 . . . . 0.0 114.277 -170.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.12 -34.13 75.77 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.599 -0.688 . . . . 0.0 112.195 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.04 -39.9 15.2 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.913 1.285 . . . . 0.0 111.587 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.92 91.79 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.365 1.066 . . . . 0.0 113.217 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.99 -33.45 74.66 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.867 -1.145 . . . . 0.0 112.497 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.418 ' SG ' HD13 ' A' ' 56' ' ' ILE . 39.0 t -68.51 -36.42 78.85 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.057 0.943 . . . . 0.0 111.409 171.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.95 89.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.155 0.982 . . . . 0.0 112.663 170.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.1 -42.15 98.93 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.223 1.374 . . . . 0.0 112.252 171.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -65.38 -23.23 66.92 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.816 0.846 . . . . 0.0 113.107 177.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.6 mt -79.02 -47.34 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.882 0.873 . . . . 0.0 110.622 168.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -26.23 58.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.997 1.319 . . . . 0.0 113.725 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -58.23 -16.28 13.24 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.275 1.83 . . . . 0.0 115.152 169.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.8 mmt-85 -128.77 -31.69 2.17 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.595 1.558 . . . . 0.0 112.938 175.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.07 84.05 1.95 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.816 1.646 . . . . 0.0 110.494 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.56 -39.98 50.86 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -169.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -143.44 -6.53 0.8 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.601 1.56 . . . . 0.0 113.106 171.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -79.99 -12.66 59.69 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -169.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.03 -5.04 36.25 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.004 0.922 . . . . 0.0 113.304 171.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -128.1 143.62 51.07 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.773 1.629 . . . . 0.0 112.329 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -90.09 -30.95 17.35 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.79 1.236 . . . . 0.0 112.616 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.85 -18.99 60.41 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 125.317 1.437 . . . . 0.0 113.579 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -79.75 -70.65 0.5 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 117.964 0.882 . . . . 0.0 110.858 168.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -63.56 -22.61 66.99 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -82.16 -7.89 59.63 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -138.72 -44.55 0.48 Allowed 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -174.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.9 m -69.52 -19.18 63.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.438 1.495 . . . . 0.0 114.333 -173.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.96 -14.88 58.26 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.936 0.894 . . . . 0.0 112.333 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.59 -50.81 2.09 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.213 1.387 . . . . 0.0 112.072 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.3 t -166.73 152.55 8.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.475 1.11 . . . . 0.0 112.354 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 79.0 mt -117.38 152.74 49.7 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.515 1.526 . . . . 0.0 112.306 175.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -70.64 153.69 64.74 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.821 3.014 . . . . 0.0 110.735 171.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -82.52 149.57 27.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.252 1.025 . . . . 0.0 111.875 171.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.4 pt -132.65 0.21 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.104 2.162 . . . . 0.0 112.802 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 m -64.73 -12.26 45.09 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -172.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.9 p -88.56 -9.62 51.67 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.963 1.705 . . . . 0.0 114.049 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 39.9 m . . . . . 0 C--O 1.251 1.148 0 C-N-CA 125.979 1.712 . . . . 0.0 112.489 -175.51 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.101 0 N-CA-C 111.829 -0.508 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -154.56 161.87 41.42 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.566 1.546 . . . . 0.0 112.626 -170.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 m -112.31 132.42 54.98 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.044 1.338 . . . . 0.0 110.116 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -99.5 156.21 17.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.76 1.624 . . . . 0.0 111.006 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 t -94.93 162.14 13.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.937 1.295 . . . . 0.0 108.596 167.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -56.39 -48.05 77.69 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.342 0.974 . . . . 0.0 111.984 -174.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -61.04 -39.01 88.16 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.554 -0.717 . . . . 0.0 112.775 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.85 -45.66 91.88 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 123.92 0.771 . . . . 0.0 111.64 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.08 -49.21 75.38 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.933 1.293 . . . . 0.0 111.94 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.6 t -49.54 -45.69 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.919 0.888 . . . . 0.0 110.545 174.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -69.78 -41.98 74.38 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.133 0.973 . . . . 0.0 113.471 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -64.93 -37.33 87.29 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.606 1.162 . . . . 0.0 111.364 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.34 -39.16 54.69 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.865 0.866 . . . . 0.0 112.136 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -56.62 -41.27 76.81 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.877 -0.514 . . . . 0.0 111.544 171.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -64.06 -36.24 83.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.572 1.549 . . . . 0.0 112.725 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -91.45 4.53 52.27 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.357 1.463 . . . . 0.0 114.857 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.81 36.56 6.37 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.409 1.004 . . . . 0.0 114.464 171.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -99.89 137.42 38.37 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.902 1.281 . . . . 0.0 109.369 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -76.62 138.69 40.26 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.387 0.675 . . . . 0.0 111.983 -172.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.26 -26.86 68.05 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -82.6 -15.88 50.53 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.9 mt -99.22 -15.46 18.89 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.871 1.268 . . . . 0.0 112.324 173.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.9 tpp -50.85 -44.02 59.37 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.54 1.536 . . . . 0.0 112.999 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -55.21 -48.61 73.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.195 0.998 . . . . 0.0 112.564 174.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.78 -46.14 90.85 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.519 0.727 . . . . 0.0 110.736 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -64.38 -48.89 73.74 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.723 0.809 . . . . 0.0 112.533 -177.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 m -67.08 -34.93 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.352 0.978 . . . . 0.0 111.802 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.03 -32.99 67.68 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.787 0.721 . . . . 0.0 112.701 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 tt -65.54 -54.39 28.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.943 1.697 . . . . 0.0 109.868 169.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 t -60.23 -40.11 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.851 0.86 . . . . 0.0 111.868 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -62.86 -28.71 70.22 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -87.15 -30.47 21.02 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.44 1.018 . . . . 0.0 113.49 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -79.89 -57.06 3.83 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.633 0.773 . . . . 0.0 111.421 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.1 p -116.16 -9.12 11.69 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -175.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m 63.67 27.97 14.91 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.854 1.261 . . . . 0.0 112.488 -168.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 70.8 29.85 3.06 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.42 1.488 . . . . 0.0 112.252 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -120.76 116.9 26.14 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.286 1.434 . . . . 0.0 111.649 -175.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -68.15 -26.97 66.04 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 122.199 -0.313 . . . . 0.0 111.629 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.5 m -74.0 -5.19 39.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -75.66 143.49 42.18 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.05 -1.031 . . . . 0.0 113.097 -172.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 p -143.19 153.49 42.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.562 1.945 . . . . 0.0 111.375 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -148.63 127.1 12.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.41 1.484 . . . . 0.0 110.624 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.9 m -96.02 138.72 33.25 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.946 1.298 . . . . 0.0 110.252 -176.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -101.82 159.34 15.42 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.382 1.473 . . . . 0.0 111.894 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -62.91 -24.38 67.82 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.394 1.078 . . . . 0.0 113.128 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -63.43 -28.24 69.84 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.919 1.688 . . . . 0.0 113.949 171.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.7 -11.08 59.31 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.446 1.498 . . . . 0.0 113.484 -169.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -71.47 160.03 33.45 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.618 1.209 . . . . 0.0 111.711 169.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -131.44 149.51 52.5 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.749 1.22 . . . . 0.0 111.064 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -101.03 142.17 32.87 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.326 1.85 . . . . 0.0 110.023 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -139.76 147.01 40.22 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.875 1.27 . . . . 0.0 113.261 -169.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.85 -176.31 53.01 Favored Glycine 0 N--CA 1.468 0.832 0 O-C-N 121.498 -0.751 . . . . 0.0 114.112 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -24.3 67.7 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -168.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -104.06 7.58 36.44 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.434 1.094 . . . . 0.0 111.927 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 50.31 59.38 4.6 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.77 1.628 . . . . 0.0 111.549 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.1 mt -85.08 134.88 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 125.231 1.412 . . . . 0.0 109.537 -173.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -96.58 138.1 34.66 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -169.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -65.36 -12.95 57.05 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -91.34 -16.14 27.95 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.606 1.162 . . . . 0.0 112.868 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -129.29 -33.58 1.91 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 116.896 2.184 . . . . 0.0 116.896 -167.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -137.5 -42.8 0.55 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -168.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.0 p -107.52 167.48 9.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.997 0.919 . . . . 0.0 111.525 168.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.37 137.76 53.52 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.649 1.18 . . . . 0.0 112.581 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 pttm -90.9 -9.24 46.96 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.728 1.751 . . . . 0.0 115.728 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.02 -166.08 20.63 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.204 0.906 . . . . 0.0 112.542 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.59 -3.56 35.02 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.7 m -145.18 152.49 50.94 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 125.989 1.716 . . . . 0.0 110.987 -174.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -69.34 161.18 46.91 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.369 2.712 . . . . 0.0 110.69 170.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.13 72.36 0.03 OUTLIER Glycine 0 N--CA 1.472 1.077 0 O-C-N 121.968 -0.457 . . . . 0.0 113.902 -176.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -153.18 -178.75 7.15 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.363 2.265 . . . . 0.0 110.671 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.93 -25.83 67.05 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.461 1.105 . . . . 0.0 113.333 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 34.2 m -99.67 -3.45 33.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.929 1.292 . . . . 0.0 113.864 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.1 t30 52.51 54.64 10.31 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.223 1.809 . . . . 0.0 113.207 172.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.16 147.52 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.581 1.152 . . . . 0.0 111.557 -172.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -99.77 135.25 41.47 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.044 1.737 . . . . 0.0 110.967 -177.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.7 m -48.67 -38.34 20.95 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.566 1.546 . . . . 0.0 113.397 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -24.55 61.91 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.305 1.842 . . . . 0.0 114.138 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -79.17 -7.41 58.19 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.405 1.002 . . . . 0.0 112.263 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.01 -15.78 37.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.983 0.913 . . . . 0.0 112.191 174.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.4 mt -93.54 4.6 53.69 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.717 1.607 . . . . 0.0 113.514 -177.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 t -84.34 -175.48 5.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.453 1.501 . . . . 0.0 112.013 -174.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -89.56 20.19 4.11 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.06 1.744 . . . . 0.0 113.218 -172.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -150.78 123.83 8.76 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.634 2.374 . . . . 0.0 109.404 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.4 pt -80.22 -13.05 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -169.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -63.03 -27.14 69.21 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -166.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -63.97 -33.22 75.24 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.121 -0.987 . . . . 0.0 112.121 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.97 -39.71 19.39 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.88 0.872 . . . . 0.0 111.246 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 85' ' ' THR . . . -66.84 -42.21 86.13 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -177.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.42 -35.25 80.38 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.771 -1.206 . . . . 0.0 112.382 174.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.22 -37.27 80.66 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.917 0.887 . . . . 0.0 111.167 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.21 89.49 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.946 0.898 . . . . 0.0 112.513 170.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -62.86 -42.3 99.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.503 1.501 . . . . 0.0 112.523 170.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -63.28 -28.0 69.72 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.901 0.881 . . . . 0.0 112.744 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.31 -45.64 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.771 0.828 . . . . 0.0 111.45 169.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -28.72 62.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.772 1.229 . . . . 0.0 113.407 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -59.33 -22.94 62.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.799 1.64 . . . . 0.0 114.806 169.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -107.29 -42.36 4.86 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.125 1.77 . . . . 0.0 111.312 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -147.97 97.41 2.79 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.387 1.875 . . . . 0.0 110.494 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -53.04 -38.99 62.88 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -170.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -143.6 -18.17 0.61 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.887 1.275 . . . . 0.0 113.588 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.7 -14.83 62.6 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -173.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.19 -9.68 56.49 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.248 1.019 . . . . 0.0 113.716 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -120.21 122.98 42.14 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.34 1.456 . . . . 0.0 111.55 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -71.26 -31.56 67.66 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -171.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.27 -37.06 94.0 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 123.939 0.781 . . . . 0.0 112.688 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -64.34 -45.44 87.83 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.956 0.878 . . . . 0.0 112.623 177.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -77.46 -10.22 59.34 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -91.98 -35.52 13.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.88 1.272 . . . . 0.0 113.693 174.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 -27.46 1.22 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -169.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.46 -8.24 55.63 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.754 -1.216 . . . . 0.0 113.677 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -77.66 -22.54 50.45 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.447 1.099 . . . . 0.0 112.679 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.23 -35.47 7.53 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.125 0.869 . . . . 0.0 113.94 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 m -170.76 153.74 4.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.788 2.035 . . . . 0.0 111.082 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 89.2 mt -121.34 151.69 56.51 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.769 1.628 . . . . 0.0 111.123 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -72.02 152.13 56.73 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.82 3.013 . . . . 0.0 110.693 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -78.56 148.05 33.51 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 122.123 0.963 . . . . 0.0 111.611 170.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.6 pt -131.12 0.05 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.941 2.096 . . . . 0.0 112.715 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.0 m -64.42 -13.35 50.78 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -173.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.4 p -88.74 -10.25 49.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.994 1.718 . . . . 0.0 114.02 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.7 m . . . . . 0 C--O 1.254 1.307 0 C-N-CA 126.043 1.737 . . . . 0.0 112.317 -175.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 N-CA-C 112.371 -0.292 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -160.14 164.13 33.19 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.704 2.002 . . . . 0.0 112.288 -172.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.5 m -119.89 134.47 55.23 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.826 1.25 . . . . 0.0 110.708 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -101.59 160.68 14.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.626 1.57 . . . . 0.0 111.853 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t -104.67 161.93 13.72 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.919 1.688 . . . . 0.0 108.191 167.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -57.14 -48.81 77.77 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.236 0.925 . . . . 0.0 112.36 -171.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.8 p -63.96 -28.33 69.74 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.07 -48.63 31.45 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.176 0.893 . . . . 0.0 111.226 172.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.16 -47.72 83.27 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.605 1.162 . . . . 0.0 112.271 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -49.48 -45.73 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.217 0.917 . . . . 0.0 110.564 174.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -70.26 -41.73 73.08 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.062 0.945 . . . . 0.0 113.302 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.08 -40.48 95.96 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.514 1.126 . . . . 0.0 111.448 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.37 -38.4 63.18 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.217 1.007 . . . . 0.0 112.143 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -58.27 -39.69 79.89 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.401 0.546 . . . . 0.0 112.095 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -68.26 -29.68 68.53 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.789 0.836 . . . . 0.0 112.89 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -94.46 4.69 53.53 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.2 1.4 . . . . 0.0 114.51 -175.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.99 35.76 6.62 Favored Glycine 0 N--CA 1.472 1.094 0 C-N-CA 124.29 0.948 . . . . 0.0 114.394 171.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -100.09 137.79 38.05 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.844 1.258 . . . . 0.0 109.581 173.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -77.58 138.76 39.33 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.384 0.674 . . . . 0.0 111.897 -172.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.19 -26.92 68.05 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -82.48 -16.04 50.27 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.0 mt -99.39 -14.45 19.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.879 1.272 . . . . 0.0 112.407 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -51.43 -43.3 62.0 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.465 1.506 . . . . 0.0 113.034 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -55.03 -50.14 69.79 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.221 1.008 . . . . 0.0 112.521 173.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -60.31 -44.79 95.12 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.651 0.781 . . . . 0.0 110.707 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -66.91 -48.65 68.03 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.874 0.869 . . . . 0.0 112.969 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 m -66.09 -34.21 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.369 0.986 . . . . 0.0 111.683 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.5 t -70.45 -43.63 69.45 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.518 0.599 . . . . 0.0 111.871 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.16 -55.37 24.67 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.376 1.471 . . . . 0.0 110.304 169.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -62.07 -42.41 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.72 0.808 . . . . 0.0 112.087 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -62.97 -38.03 89.46 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -83.9 -17.48 40.62 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -87.08 -56.9 3.17 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.123 0.969 . . . . 0.0 112.158 174.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.1 p -117.86 -9.77 10.58 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -173.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 m 67.98 24.01 8.05 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.7 1.6 . . . . 0.0 112.356 -168.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 66.59 33.9 6.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.113 1.765 . . . . 0.0 112.406 -174.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -116.78 115.59 25.88 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.515 1.126 . . . . 0.0 110.896 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.7 p -67.53 -28.04 67.47 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 122.447 -0.158 . . . . 0.0 111.017 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.7 m -73.1 -5.87 41.93 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -75.65 143.57 42.15 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.991 -1.068 . . . . 0.0 113.244 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 p -146.99 152.67 39.0 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.435 1.894 . . . . 0.0 111.405 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -150.54 125.1 9.63 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.328 1.451 . . . . 0.0 111.224 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.0 m -87.38 140.04 29.94 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.939 1.296 . . . . 0.0 110.054 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -104.27 161.48 14.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.875 1.27 . . . . 0.0 112.625 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -64.69 -23.08 67.14 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.429 1.092 . . . . 0.0 113.247 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -85.57 5.51 31.3 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.731 1.612 . . . . 0.0 113.481 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.82 -1.71 88.41 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 125.715 1.626 . . . . 0.0 115.486 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.0 p -82.3 170.86 14.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.729 1.212 . . . . 0.0 111.84 170.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -134.09 147.97 50.95 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.472 1.109 . . . . 0.0 110.903 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -101.66 143.01 32.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.292 1.837 . . . . 0.0 109.969 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -140.05 149.51 43.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.306 1.442 . . . . 0.0 112.928 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.54 -176.97 51.89 Favored Glycine 0 N--CA 1.468 0.825 0 O-C-N 121.392 -0.818 . . . . 0.0 114.216 169.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.82 -24.29 67.69 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 -168.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -104.54 7.18 35.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.373 1.069 . . . . 0.0 111.638 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 51.32 60.08 4.13 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.85 1.66 . . . . 0.0 111.385 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.411 HD13 ' SG ' ' A' ' 90' ' ' CYS . 13.7 mt -87.03 136.94 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 125.538 1.535 . . . . 0.0 110.265 -172.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -93.42 138.88 31.31 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -169.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -67.01 -11.13 56.14 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -99.88 -12.47 19.82 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.755 1.222 . . . . 0.0 112.948 -176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -131.67 -27.31 1.93 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 -167.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -138.78 -55.83 0.61 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.183 0.901 . . . . 0.0 112.118 -168.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -98.36 174.69 6.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.774 1.23 . . . . 0.0 111.231 168.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.23 140.66 51.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.338 1.055 . . . . 0.0 112.737 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -85.12 -12.97 51.68 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -171.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.64 -164.5 19.4 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.086 0.851 . . . . 0.0 112.716 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.56 -6.73 54.69 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.5 m -138.67 150.07 64.6 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 125.883 1.673 . . . . 0.0 111.514 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -70.0 158.47 56.53 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.728 2.952 . . . . 0.0 110.741 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.38 37.32 0.02 OUTLIER Glycine 0 N--CA 1.475 1.277 0 N-CA-C 118.502 2.161 . . . . 0.0 118.502 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -127.92 -165.53 1.5 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.824 1.312 . . . . 0.0 111.888 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.4 -21.92 52.21 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -169.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 62.1 m -109.54 3.85 21.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.599 1.16 . . . . 0.0 114.117 176.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.9 m120 58.15 44.93 18.31 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.646 1.578 . . . . 0.0 112.934 169.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.5 p -148.87 153.53 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.365 1.466 . . . . 0.0 110.656 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -103.96 136.05 44.32 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.915 1.686 . . . . 0.0 111.267 -174.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.6 m -51.66 -37.01 48.62 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.254 1.422 . . . . 0.0 113.771 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -74.02 -28.42 61.43 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -18.65 63.76 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.863 -1.148 . . . . 0.0 112.662 174.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.1 -13.45 59.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.033 0.933 . . . . 0.0 112.308 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.2 mt -94.21 8.5 41.5 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.688 1.595 . . . . 0.0 112.995 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.6 p -89.37 -169.82 2.63 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.176 1.39 . . . . 0.0 112.505 -172.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -92.36 2.24 56.76 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.574 1.949 . . . . 0.0 115.101 -171.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -130.42 123.83 30.72 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.317 1.447 . . . . 0.0 109.396 169.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.4 pt -68.32 -13.74 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.493 1.117 . . . . 0.0 113.097 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.9 t -55.21 -30.99 61.07 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.948 1.299 . . . . 0.0 113.89 -171.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -63.73 -34.05 77.02 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.151 0.887 . . . . 0.0 111.309 176.422 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.06 -38.76 14.14 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.998 1.319 . . . . 0.0 111.762 176.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.0 -40.95 74.96 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.67 0.788 . . . . 0.0 113.085 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -71.1 -30.42 66.51 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.798 -1.188 . . . . 0.0 111.759 175.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.411 ' SG ' HD13 ' A' ' 56' ' ' ILE . 41.3 t -67.77 -37.56 82.26 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.323 1.049 . . . . 0.0 111.264 169.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.7 89.15 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.252 1.021 . . . . 0.0 112.6 171.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.47 -40.82 97.87 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.108 1.322 . . . . 0.0 112.266 170.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -67.98 -24.38 65.13 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.244 1.018 . . . . 0.0 113.249 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.3 mt -75.2 -45.45 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.847 0.859 . . . . 0.0 109.987 168.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -24.7 57.71 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.492 1.517 . . . . 0.0 113.87 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -56.03 -28.83 59.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.476 1.51 . . . . 0.0 114.331 169.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -115.21 -32.38 5.69 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.469 1.508 . . . . 0.0 112.886 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -143.57 83.66 1.77 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.111 1.765 . . . . 0.0 110.551 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -51.67 -40.25 59.69 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -170.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -141.93 -3.54 1.1 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.512 1.525 . . . . 0.0 113.037 169.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.77 -16.93 61.15 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.303 1.841 . . . . 0.0 114.431 -167.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.22 -4.91 55.05 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.819 1.248 . . . . 0.0 113.703 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 -124.66 139.84 53.49 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.036 1.334 . . . . 0.0 113.002 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -87.43 -32.69 19.38 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.471 1.108 . . . . 0.0 112.522 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.29 -20.59 63.28 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.841 1.21 . . . . 0.0 113.111 175.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -80.33 -66.57 0.86 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 117.85 0.825 . . . . 0.0 111.122 168.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -62.87 -25.95 68.54 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -170.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -81.46 -9.91 59.61 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -137.21 -45.96 0.56 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -174.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.0 m -68.69 -19.76 64.39 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.14 1.376 . . . . 0.0 114.355 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -80.99 -13.97 58.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.065 0.946 . . . . 0.0 112.336 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.47 -47.55 1.97 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 125.457 1.504 . . . . 0.0 112.781 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.4 m -165.37 151.4 9.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.533 1.533 . . . . 0.0 112.1 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 81.2 mt -120.64 153.06 56.47 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 125.343 1.457 . . . . 0.0 112.186 174.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.42 155.11 60.44 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.925 3.083 . . . . 0.0 110.769 172.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -83.08 149.13 27.1 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 122.228 1.013 . . . . 0.0 111.784 171.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.92 0.29 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 127.082 2.153 . . . . 0.0 112.7 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.0 m -64.34 -12.68 44.68 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -171.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.4 p -89.56 -8.97 51.54 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.036 1.734 . . . . 0.0 114.117 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.0 m . . . . . 0 C--O 1.252 1.19 0 C-N-CA 126.181 1.792 . . . . 0.0 112.523 -173.847 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 N-CA-C 111.914 -0.475 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -156.76 163.77 38.87 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.801 1.64 . . . . 0.0 112.513 -172.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 m -108.35 131.77 54.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.672 1.189 . . . . 0.0 110.659 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -96.35 155.56 16.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.228 1.811 . . . . 0.0 110.578 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -94.92 159.71 14.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.035 1.334 . . . . 0.0 108.722 168.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.31 -48.72 76.11 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.41 1.005 . . . . 0.0 112.292 -172.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.3 p -64.08 -30.58 71.64 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.15 -45.72 54.53 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.272 0.939 . . . . 0.0 111.391 173.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.1 -49.61 75.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.249 1.419 . . . . 0.0 111.813 174.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.7 t -49.08 -46.32 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.004 0.921 . . . . 0.0 110.52 173.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -69.09 -42.79 75.69 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.84 0.856 . . . . 0.0 113.24 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.19 -40.14 96.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.283 1.033 . . . . 0.0 111.322 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -73.24 -38.31 66.07 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 121.259 -0.901 . . . . 0.0 112.116 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -57.97 -40.03 79.62 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.839 -0.538 . . . . 0.0 111.856 171.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -66.96 -37.25 83.93 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.999 0.92 . . . . 0.0 112.38 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -87.5 4.58 42.89 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -174.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.25 35.94 6.46 Favored Glycine 0 N--CA 1.472 1.058 0 C-N-CA 124.471 1.034 . . . . 0.0 114.589 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -98.65 138.66 35.51 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.819 1.248 . . . . 0.0 109.74 174.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -72.68 134.76 45.22 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.62 0.768 . . . . 0.0 111.8 -174.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.33 -28.86 68.48 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -77.81 -17.52 57.36 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.1 mt -101.4 -11.64 19.22 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.229 1.412 . . . . 0.0 112.669 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.4 tpp -53.53 -42.59 67.6 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.082 1.353 . . . . 0.0 112.692 -173.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -55.4 -49.76 71.51 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.178 0.991 . . . . 0.0 112.04 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.03 -43.79 98.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.954 1.301 . . . . 0.0 110.795 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -66.96 -50.24 62.95 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.19 0.996 . . . . 0.0 112.909 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -65.76 -33.96 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.57 1.077 . . . . 0.0 111.699 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -69.77 -43.77 71.51 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.482 0.583 . . . . 0.0 111.503 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.3 -52.37 63.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.522 1.129 . . . . 0.0 110.616 170.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.21 -40.88 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.661 0.784 . . . . 0.0 111.958 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -63.35 -39.32 94.2 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -83.29 -16.67 45.36 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -90.89 -56.84 3.03 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.465 1.106 . . . . 0.0 112.003 174.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 m -126.67 3.93 6.76 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m 60.09 25.36 14.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.571 1.548 . . . . 0.0 113.688 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 mtm-85 68.82 24.84 6.41 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.109 1.764 . . . . 0.0 113.266 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -116.95 120.19 37.65 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.124 1.77 . . . . 0.0 110.83 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.0 p -69.37 -26.41 64.65 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 119.09 -0.481 . . . . 0.0 112.224 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -76.12 -3.83 38.23 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -74.84 140.56 44.0 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.956 -1.09 . . . . 0.0 113.317 -172.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.4 p -143.2 155.83 44.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.273 1.829 . . . . 0.0 111.881 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -150.53 130.49 13.39 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.19 1.396 . . . . 0.0 111.305 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.6 m -86.16 142.86 28.33 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.444 1.098 . . . . 0.0 109.918 176.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -102.11 157.01 17.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.306 1.443 . . . . 0.0 111.717 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -63.21 -22.6 66.97 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.179 0.991 . . . . 0.0 113.095 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -84.93 2.8 41.18 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.785 1.634 . . . . 0.0 113.689 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.25 -2.87 85.47 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.602 1.572 . . . . 0.0 115.781 172.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.3 p -86.35 163.83 17.43 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.834 1.254 . . . . 0.0 111.65 171.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -125.03 151.12 46.02 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.423 1.089 . . . . 0.0 111.288 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -101.91 145.62 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.525 1.93 . . . . 0.0 110.041 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -143.91 148.11 34.95 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.194 1.398 . . . . 0.0 113.137 -171.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.9 -177.96 49.3 Favored Glycine 0 N--CA 1.468 0.772 0 O-C-N 121.596 -0.69 . . . . 0.0 113.794 172.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -14.21 61.21 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 -168.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.77 15.23 17.52 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.845 1.258 . . . . 0.0 111.458 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 45.2 57.62 4.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.1 1.76 . . . . 0.0 111.745 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.4 mt -82.77 133.62 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.83 1.252 . . . . 0.0 109.917 -172.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -95.72 137.6 34.57 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -169.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -65.18 -13.41 58.14 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -175.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -89.01 -13.36 38.98 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.007 0.923 . . . . 0.0 112.926 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -130.65 -61.85 0.94 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -168.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -101.73 -51.97 3.31 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.685 0.794 . . . . 0.0 112.698 -167.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.4 p -101.35 169.08 9.12 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.329 1.452 . . . . 0.0 112.754 172.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.3 t -117.19 132.35 56.66 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.043 1.737 . . . . 0.0 112.108 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -83.95 -10.92 57.57 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 177.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.13 -159.98 17.13 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.29 0.948 . . . . 0.0 113.281 -169.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.55 -8.02 55.67 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -150.91 151.24 29.57 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 125.444 1.497 . . . . 0.0 111.576 -171.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -67.59 147.15 75.87 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.209 2.606 . . . . 0.0 109.755 169.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.95 29.23 0.02 OUTLIER Glycine 0 N--CA 1.475 1.292 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 -171.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -119.01 -168.87 1.63 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.264 1.425 . . . . 0.0 110.723 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.54 -29.24 66.18 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -168.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.6 m -104.52 7.69 35.33 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.1 t30 54.24 49.67 18.1 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.903 1.681 . . . . 0.0 112.749 171.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.3 p -149.77 143.99 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.331 1.452 . . . . 0.0 110.248 -171.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -94.41 134.47 36.89 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.079 1.352 . . . . 0.0 110.913 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.6 m -48.03 -36.6 13.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.068 1.747 . . . . 0.0 113.886 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -69.81 -31.61 69.6 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -73.01 -10.46 59.83 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 120.549 -1.345 . . . . 0.0 112.272 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 mt -81.21 -14.73 57.22 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.465 -0.772 . . . . 0.0 112.283 170.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.7 mt -95.05 7.85 44.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.498 1.519 . . . . 0.0 112.932 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.7 t -80.47 -178.28 6.61 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.528 1.531 . . . . 0.0 111.95 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -92.35 10.87 28.01 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.42 1.488 . . . . 0.0 113.88 -170.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -135.27 127.12 29.38 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.102 1.761 . . . . 0.0 108.179 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.3 pt -68.77 -13.95 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 124.807 1.243 . . . . 0.0 113.048 -174.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t -52.21 -37.34 54.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.302 1.841 . . . . 0.0 114.462 -170.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -63.65 -32.03 73.38 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.279 0.632 . . . . 0.0 112.369 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -41.35 13.89 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.898 1.279 . . . . 0.0 111.298 174.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.66 97.09 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.584 1.154 . . . . 0.0 113.117 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.62 -33.27 72.42 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.12 -0.987 . . . . 0.0 112.714 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 25.4 t -67.36 -38.49 84.87 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.954 0.902 . . . . 0.0 111.222 171.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.89 -35.22 77.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.447 1.099 . . . . 0.0 113.078 173.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.64 -40.5 95.12 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.359 1.436 . . . . 0.0 112.636 171.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -69.52 -20.9 63.69 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.529 -0.732 . . . . 0.0 112.925 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 92.3 mt -77.88 -48.65 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.281 -0.887 . . . . 0.0 109.719 168.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -28.67 62.66 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.928 1.291 . . . . 0.0 114.027 178.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -58.62 -23.75 59.6 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.971 2.108 . . . . 0.0 114.193 172.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -115.81 -34.18 4.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.874 1.67 . . . . 0.0 112.567 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -144.68 82.92 1.69 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.888 2.075 . . . . 0.0 110.176 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.586 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -41.61 -43.89 2.9 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.213 1.805 . . . . 0.0 114.31 -171.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -144.46 -4.42 0.78 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.307 1.843 . . . . 0.0 112.767 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -12.84 60.03 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.627 1.971 . . . . 0.0 113.944 -167.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.42 -5.86 55.6 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.961 1.304 . . . . 0.0 113.602 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -121.62 137.27 54.81 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.45 1.5 . . . . 0.0 112.276 -174.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -83.95 -37.09 22.73 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -170.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -65.18 -28.91 74.11 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 123.781 0.705 . . . . 0.0 112.398 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -66.18 -45.36 81.14 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -81.49 -15.92 53.5 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -95.28 -29.09 14.67 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.471 1.108 . . . . 0.0 113.844 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -126.94 -46.07 1.56 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 55.3 m -69.92 -7.19 38.37 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -172.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -74.04 -23.28 59.37 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.132 0.973 . . . . 0.0 112.682 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.83 -39.75 7.43 Favored Glycine 0 N--CA 1.471 1.0 0 C-N-CA 123.959 0.79 . . . . 0.0 113.588 -176.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.9 t -169.87 152.43 4.46 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.478 1.511 . . . . 0.0 111.414 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.4 mt -120.93 149.34 50.72 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.991 1.716 . . . . 0.0 111.417 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -73.58 166.31 30.13 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 124.001 3.134 . . . . 0.0 112.198 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.13 144.68 38.27 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.145 0.978 . . . . 0.0 112.552 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.1 pt -128.07 -4.91 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.867 1.667 . . . . 0.0 113.401 171.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 96.0 p -69.13 -16.12 63.58 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.802 -1.186 . . . . 0.0 113.245 -178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.9 m -84.65 -3.44 58.51 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.128 1.371 . . . . 0.0 113.67 170.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.642 1.577 . . . . 0.0 112.419 -173.474 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.304 0 N-CA-C 112.244 -0.342 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -157.72 163.5 38.08 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.189 1.796 . . . . 0.0 112.494 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -106.3 134.11 49.96 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.827 1.251 . . . . 0.0 110.427 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -99.07 156.44 16.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.225 1.81 . . . . 0.0 110.628 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.7 t -95.63 159.63 14.9 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.863 1.265 . . . . 0.0 108.571 168.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.13 -45.64 79.5 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.285 0.948 . . . . 0.0 111.959 -175.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.5 m -61.33 -35.83 78.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.5 -44.25 51.04 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 124.188 0.899 . . . . 0.0 111.527 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.74 -48.8 77.63 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.043 1.337 . . . . 0.0 111.875 176.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.2 t -49.94 -45.98 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 119.082 0.856 . . . . 0.0 110.553 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -69.18 -44.22 72.65 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.998 0.919 . . . . 0.0 113.23 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.2 -42.39 98.5 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.357 1.063 . . . . 0.0 110.993 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.51 -40.23 70.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.887 0.875 . . . . 0.0 112.219 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -56.36 -40.95 75.35 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 118.272 0.487 . . . . 0.0 111.845 172.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -72.33 -26.37 61.91 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.944 0.898 . . . . 0.0 113.253 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -92.34 6.14 47.98 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.192 1.397 . . . . 0.0 114.187 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.96 23.03 21.59 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.741 1.162 . . . . 0.0 115.321 169.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -89.15 137.6 32.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.431 1.116 . . . . 0.0 109.923 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -74.6 136.52 42.03 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.683 0.793 . . . . 0.0 111.974 -174.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.36 -27.85 67.72 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -79.25 -19.11 51.44 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.0 mt -97.49 -17.2 19.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.006 1.322 . . . . 0.0 112.391 175.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.1 tpp -49.25 -44.44 43.71 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.164 1.786 . . . . 0.0 113.536 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -56.95 -46.57 82.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.173 0.989 . . . . 0.0 112.912 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -63.88 -44.52 92.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.193 0.597 . . . . 0.0 111.225 173.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -64.55 -49.13 72.42 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.696 -0.669 . . . . 0.0 112.697 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 m -65.95 -35.27 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.465 1.029 . . . . 0.0 111.786 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -71.49 -41.25 69.54 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.669 0.668 . . . . 0.0 111.735 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 tt -56.38 -52.95 62.72 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.967 1.307 . . . . 0.0 110.269 169.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.96 -39.99 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.662 0.785 . . . . 0.0 112.019 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -63.19 -40.71 98.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -81.39 -18.76 44.37 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -90.0 -57.25 2.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.261 1.024 . . . . 0.0 111.938 175.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 m -125.65 5.35 7.49 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -170.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m 60.4 22.35 11.93 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.311 1.445 . . . . 0.0 113.841 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 68.41 26.46 6.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.738 1.615 . . . . 0.0 112.903 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -117.67 118.47 32.19 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.838 1.655 . . . . 0.0 111.172 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.8 p -68.89 -26.24 65.01 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -74.96 -5.48 44.12 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -70.76 136.83 49.14 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.801 -1.187 . . . . 0.0 112.645 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -143.01 148.98 37.67 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.896 2.079 . . . . 0.0 111.472 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -149.54 128.76 12.83 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.86 1.264 . . . . 0.0 111.691 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -87.96 141.26 28.72 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.762 1.225 . . . . 0.0 110.252 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -102.38 157.81 16.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.479 1.512 . . . . 0.0 112.085 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -57.1 -30.57 64.48 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.641 1.176 . . . . 0.0 113.904 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -74.7 -4.4 37.18 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 126.493 1.917 . . . . 0.0 114.066 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.25 81.99 Favored Glycine 0 N--CA 1.475 1.299 0 C-N-CA 125.531 1.539 . . . . 0.0 115.217 173.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 p -89.59 163.1 15.32 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.548 1.539 . . . . 0.0 111.656 172.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -122.59 149.91 43.33 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.566 1.146 . . . . 0.0 111.158 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -100.12 144.4 29.2 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.756 2.022 . . . . 0.0 110.147 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.45 148.31 37.53 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.332 1.453 . . . . 0.0 112.726 -171.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.07 -177.34 48.4 Favored Glycine 0 N--CA 1.469 0.863 0 O-C-N 121.536 -0.727 . . . . 0.0 114.081 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -13.2 60.15 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 -168.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -115.54 15.55 16.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.864 1.266 . . . . 0.0 111.44 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 44.23 58.49 3.71 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.233 1.813 . . . . 0.0 111.794 -176.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.2 mt -83.92 132.81 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.555 1.142 . . . . 0.0 110.27 -171.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -94.15 138.88 31.69 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -169.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.14 -12.15 53.89 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -175.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -94.94 -15.38 23.64 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.327 1.051 . . . . 0.0 113.175 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -128.67 -27.5 2.58 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 116.797 2.147 . . . . 0.0 116.797 -167.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -138.47 -56.89 0.64 Allowed 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.312 0.96 . . . . 0.0 112.693 -168.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 p -97.5 168.62 10.26 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.033 1.333 . . . . 0.0 111.85 169.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 t -117.88 133.83 55.54 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.385 1.474 . . . . 0.0 112.136 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -83.01 -12.62 57.09 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.75 -170.73 29.53 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.177 0.894 . . . . 0.0 112.416 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.64 -4.5 19.66 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -173.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.3 p -156.33 155.3 28.74 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 127.003 2.121 . . . . 0.0 110.289 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.62 151.28 69.84 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.877 2.385 . . . . 0.0 110.351 175.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.72 32.73 0.02 OUTLIER Glycine 0 N--CA 1.477 1.389 0 N-CA-C 117.697 1.839 . . . . 0.0 117.697 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -121.9 -168.86 1.78 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.191 1.396 . . . . 0.0 110.622 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.62 -23.96 63.43 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -169.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.8 m -105.95 4.04 29.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.668 1.187 . . . . 0.0 113.871 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.3 t30 54.1 50.61 16.21 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.107 1.763 . . . . 0.0 112.675 173.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.2 p -150.43 148.8 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.61 1.564 . . . . 0.0 109.863 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.2 tttt -99.92 135.55 41.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.375 1.47 . . . . 0.0 110.8 -175.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.9 m -49.98 -37.16 31.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.804 1.642 . . . . 0.0 114.05 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -73.64 -29.18 62.19 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.697 -0.627 . . . . 0.0 112.571 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -13.02 62.0 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.96 -1.088 . . . . 0.0 113.001 173.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.6 mt -81.89 -11.47 58.9 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.907 0.883 . . . . 0.0 112.358 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.4 mt -97.48 7.37 46.63 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.461 1.505 . . . . 0.0 113.096 -174.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.4 p -80.85 -177.12 6.22 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.051 1.34 . . . . 0.0 112.63 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.52 -8.22 59.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.545 1.538 . . . . 0.0 114.892 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -114.94 125.98 54.25 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.126 1.371 . . . . 0.0 109.61 169.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.9 pt -69.49 -14.08 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.437 1.495 . . . . 0.0 113.336 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.8 t -53.45 -33.46 54.19 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.156 1.382 . . . . 0.0 114.702 -168.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -31.89 72.94 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.166 0.893 . . . . 0.0 111.872 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.24 -40.33 16.75 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.464 1.105 . . . . 0.0 110.74 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.35 79.31 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.076 0.951 . . . . 0.0 113.414 -177.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -67.62 -36.34 80.62 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.844 -1.16 . . . . 0.0 112.878 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.4 t -74.01 -31.87 63.12 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.772 1.629 . . . . 0.0 111.054 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.92 93.87 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.53 1.132 . . . . 0.0 111.745 168.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -42.01 95.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.874 1.216 . . . . 0.0 112.812 172.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -66.6 -24.06 66.27 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.137 0.975 . . . . 0.0 112.901 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 80.2 mt -78.66 -47.1 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.831 0.852 . . . . 0.0 110.248 168.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -27.01 53.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.363 1.465 . . . . 0.0 113.653 176.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.29 -17.66 5.01 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.853 2.061 . . . . 0.0 115.149 169.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -130.47 -29.67 1.96 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.699 1.599 . . . . 0.0 113.216 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -140.69 82.49 1.85 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.168 1.787 . . . . 0.0 110.409 -175.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -51.05 -40.38 58.17 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -169.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -140.7 -4.83 1.21 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.542 1.537 . . . . 0.0 112.885 170.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.28 -17.49 60.85 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.456 1.902 . . . . 0.0 114.457 -167.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.78 -5.61 53.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.589 1.156 . . . . 0.0 113.718 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.7 m-90 -124.84 122.55 37.72 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.932 1.293 . . . . 0.0 111.985 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -70.8 -32.78 69.97 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -171.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.47 -30.72 78.43 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 123.83 0.729 . . . . 0.0 112.673 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -70.25 -46.33 64.64 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.029 0.915 . . . . 0.0 112.579 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -77.87 -12.36 59.97 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -98.32 -29.92 12.89 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.466 1.106 . . . . 0.0 113.897 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -124.4 -43.47 2.05 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 69.3 m -69.14 -9.09 51.1 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -75.28 -21.68 58.33 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.156 0.982 . . . . 0.0 112.651 175.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.16 -44.56 5.61 Favored Glycine 0 C--N 1.344 0.974 0 C-N-CA 124.08 0.848 . . . . 0.0 112.999 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.5 t -169.75 157.2 6.79 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.711 1.605 . . . . 0.0 111.195 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.73 150.72 53.22 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.695 1.598 . . . . 0.0 111.839 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -69.94 145.86 57.37 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.767 2.978 . . . . 0.0 110.39 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -80.78 152.22 28.4 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 122.444 1.116 . . . . 0.0 111.248 172.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.2 pt -135.85 1.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 127.317 2.247 . . . . 0.0 112.547 -172.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 99.7 p -58.2 -19.98 37.74 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.9 m -80.75 -8.67 59.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.124 1.37 . . . . 0.0 114.054 173.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.25 1.097 0 C-N-CA 125.803 1.641 . . . . 0.0 112.157 -175.108 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.313 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -158.38 166.07 33.16 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.139 1.776 . . . . 0.0 112.503 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 m -108.03 130.4 55.08 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.849 1.26 . . . . 0.0 110.016 175.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -94.42 158.82 15.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.955 1.702 . . . . 0.0 110.907 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -99.15 158.88 15.37 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.152 1.381 . . . . 0.0 108.597 168.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -56.07 -45.74 79.23 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.32 0.964 . . . . 0.0 111.984 -175.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.6 m -61.89 -33.46 74.26 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.13 -45.5 31.39 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 124.216 0.912 . . . . 0.0 111.421 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.23 -48.82 78.29 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.153 1.381 . . . . 0.0 111.971 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.9 t -50.42 -45.56 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.07 0.85 . . . . 0.0 110.585 174.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -69.52 -43.38 73.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.033 0.933 . . . . 0.0 113.268 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.47 -38.79 91.2 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.762 1.225 . . . . 0.0 111.248 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.77 -40.5 55.19 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.814 0.846 . . . . 0.0 112.268 176.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -55.84 -41.29 74.06 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.366 0.53 . . . . 0.0 111.609 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -66.41 -39.26 88.88 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.412 1.885 . . . . 0.0 112.423 173.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -85.03 -1.32 56.69 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -176.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.03 39.94 3.67 Favored Glycine 0 N--CA 1.472 1.092 0 C-N-CA 124.74 1.162 . . . . 0.0 114.509 172.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -104.2 139.22 39.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.2 1.4 . . . . 0.0 109.518 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -76.87 137.9 39.44 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.398 0.679 . . . . 0.0 111.898 -172.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.25 -26.85 68.04 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -82.31 -15.43 52.94 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.9 mt -100.31 -13.99 18.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.877 1.271 . . . . 0.0 112.344 173.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.2 tpp -51.47 -44.35 62.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.383 1.473 . . . . 0.0 112.961 -174.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -55.76 -48.03 75.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.123 0.969 . . . . 0.0 112.558 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -61.31 -46.44 90.27 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.703 0.801 . . . . 0.0 110.576 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -65.41 -49.4 69.38 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.948 0.899 . . . . 0.0 112.715 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.2 m -65.91 -34.11 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 119.319 0.963 . . . . 0.0 111.761 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -72.17 -42.12 66.26 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.637 0.653 . . . . 0.0 111.942 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.63 -53.07 59.62 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.507 1.523 . . . . 0.0 110.347 169.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 t -60.82 -42.05 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.784 0.834 . . . . 0.0 111.584 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -64.12 -30.42 71.48 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -85.28 -22.23 28.67 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -91.55 -55.46 3.49 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.092 0.957 . . . . 0.0 112.337 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.8 p -111.43 -16.32 13.36 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.3 m 66.99 28.49 8.46 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.721 1.208 . . . . 0.0 111.588 -166.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 74.5 29.76 1.15 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.372 1.869 . . . . 0.0 112.347 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -117.65 115.36 24.92 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.05 1.34 . . . . 0.0 111.964 -173.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.9 p -69.44 -26.46 64.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 122.096 -0.378 . . . . 0.0 111.591 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.2 m -74.94 -2.36 26.68 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -71.85 142.93 49.58 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 121.064 -1.022 . . . . 0.0 113.315 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.3 p -153.15 150.74 29.39 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 127.984 2.513 . . . . 0.0 111.197 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -157.32 123.01 4.67 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.138 1.775 . . . . 0.0 110.292 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 m -89.92 137.51 32.27 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.712 1.205 . . . . 0.0 110.267 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -106.01 162.67 13.4 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.212 1.405 . . . . 0.0 112.595 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -64.07 -24.17 67.6 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.538 1.135 . . . . 0.0 113.304 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.86 -14.98 61.61 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.59 1.556 . . . . 0.0 113.783 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.8 -1.37 74.79 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.451 1.5 . . . . 0.0 114.127 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.4 p -81.25 173.73 12.21 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.873 1.269 . . . . 0.0 111.728 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -143.9 153.39 42.26 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.87 1.268 . . . . 0.0 111.184 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.79 148.81 26.13 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.701 0.8 . . . . 0.0 110.924 169.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -143.0 139.11 30.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.105 1.362 . . . . 0.0 112.17 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.85 -172.45 53.11 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 115.872 1.109 . . . . 0.0 115.872 168.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.77 -19.19 62.73 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -169.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.05 14.55 17.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.009 1.724 . . . . 0.0 111.542 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 56.04 49.06 16.43 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.521 1.929 . . . . 0.0 111.447 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.421 HD13 ' SG ' ' A' ' 90' ' ' CYS . 7.2 mt -80.0 134.43 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 124.389 1.076 . . . . 0.0 110.136 -169.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -101.08 136.27 41.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.558 0.694 . . . . 0.0 112.524 -171.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -64.79 -12.23 45.43 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.086 1.884 . . . . 0.0 116.086 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -81.94 -18.52 43.27 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.517 1.127 . . . . 0.0 112.804 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -131.0 -59.41 0.99 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -167.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -102.55 -51.8 3.24 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.785 0.834 . . . . 0.0 113.158 -166.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.0 p -100.8 167.71 10.12 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.215 1.406 . . . . 0.0 112.911 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -114.83 131.21 56.9 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.765 1.626 . . . . 0.0 112.121 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -84.85 -10.35 57.24 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.11 -159.78 19.96 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.413 1.006 . . . . 0.0 113.369 -170.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.88 -2.28 32.68 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.2 p -158.19 153.69 22.42 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.229 1.411 . . . . 0.0 112.105 -172.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -69.94 146.89 60.42 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.447 2.765 . . . . 0.0 110.233 171.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.2 29.98 0.02 OUTLIER Glycine 0 N--CA 1.475 1.299 0 N-CA-C 117.321 1.688 . . . . 0.0 117.321 -171.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -119.34 -168.91 1.66 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.383 1.473 . . . . 0.0 110.773 175.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.75 -26.06 63.62 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -168.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 65.6 m -107.19 5.9 28.18 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.66 1.184 . . . . 0.0 113.944 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 54.16 50.18 17.08 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.941 1.696 . . . . 0.0 112.753 172.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.2 p -150.25 143.49 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.25 1.42 . . . . 0.0 110.397 -172.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -92.26 134.6 34.74 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.946 1.298 . . . . 0.0 111.182 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 72.5 m -48.63 -36.19 15.31 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.232 1.813 . . . . 0.0 114.142 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -68.99 -33.3 73.46 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.8 -9.73 58.99 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.758 -1.214 . . . . 0.0 112.478 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -81.41 -14.74 56.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.905 0.775 . . . . 0.0 112.439 171.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 mt -96.02 10.94 35.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.258 1.423 . . . . 0.0 113.095 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -85.58 -178.33 6.64 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.715 1.606 . . . . 0.0 112.204 -176.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -86.75 -6.57 58.79 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -171.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -117.68 126.46 52.53 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.154 1.382 . . . . 0.0 109.252 168.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.2 pt -68.29 -14.01 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.69 1.196 . . . . 0.0 113.336 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.7 t -51.95 -37.51 53.13 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.984 1.714 . . . . 0.0 114.489 -169.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.59 -32.62 74.14 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.27 0.628 . . . . 0.0 112.114 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.74 -38.94 16.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.997 1.319 . . . . 0.0 111.539 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.12 86.01 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.375 1.07 . . . . 0.0 113.244 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.45 -32.26 71.09 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.784 -1.198 . . . . 0.0 112.489 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.421 ' SG ' HD13 ' A' ' 56' ' ' ILE . 38.2 t -67.87 -36.99 81.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.068 0.947 . . . . 0.0 111.264 170.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.37 85.56 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.147 0.979 . . . . 0.0 112.7 171.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -63.78 -41.76 97.89 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.529 1.513 . . . . 0.0 112.331 170.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -63.67 -26.83 68.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.861 0.864 . . . . 0.0 112.761 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 86.8 mt -75.98 -49.22 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.731 0.812 . . . . 0.0 111.013 168.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -27.75 62.59 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.881 1.272 . . . . 0.0 113.504 -178.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -57.67 -22.18 44.4 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.985 1.714 . . . . 0.0 114.949 169.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -115.66 -36.27 4.28 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.545 1.538 . . . . 0.0 112.267 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -141.13 81.15 1.77 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.093 1.757 . . . . 0.0 110.661 -173.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -42.24 33.47 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -169.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -139.61 -7.74 1.28 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.113 1.365 . . . . 0.0 113.052 169.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.04 -13.92 61.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.68 1.192 . . . . 0.0 113.978 -172.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.01 -7.84 53.92 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 172.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -126.84 107.9 10.53 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.893 1.277 . . . . 0.0 112.58 -174.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -52.19 -35.26 48.64 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.928 1.691 . . . . 0.0 113.024 169.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.01 -13.76 49.81 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 125.215 1.388 . . . . 0.0 114.102 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -96.84 -56.9 2.42 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.839 1.32 . . . . 0.0 112.401 168.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -70.31 -16.47 63.01 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -172.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -113.14 -9.07 13.54 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -139.64 -8.28 1.26 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 -170.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 96.5 m -103.44 1.71 32.85 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.637 1.108 . . . . 0.0 113.921 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -86.15 -21.38 27.59 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -170.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.08 -36.43 11.13 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.787 0.708 . . . . 0.0 113.441 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.2 t -171.98 154.16 3.41 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.31 1.844 . . . . 0.0 110.802 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 87.9 mt -117.87 151.28 48.57 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.647 1.579 . . . . 0.0 111.603 175.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -70.2 151.37 66.54 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.742 2.961 . . . . 0.0 110.714 174.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -79.11 148.9 32.22 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 122.236 1.017 . . . . 0.0 111.822 171.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.3 pt -129.1 -0.24 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.999 2.12 . . . . 0.0 112.735 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.4 m -63.58 -17.65 63.07 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -174.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.5 m -83.98 -6.93 59.51 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.153 1.381 . . . . 0.0 113.836 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--O 1.254 1.312 0 C-N-CA 125.673 1.589 . . . . 0.0 112.164 -174.711 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.332 0 N-CA-C 112.174 -0.37 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -160.09 168.65 25.05 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.657 1.983 . . . . 0.0 112.607 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 m -115.73 132.79 56.53 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.771 1.229 . . . . 0.0 110.51 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.37 162.28 13.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.489 1.516 . . . . 0.0 111.688 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.3 t -104.47 160.51 14.86 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.593 1.557 . . . . 0.0 107.99 166.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -57.39 -44.12 84.22 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.364 0.984 . . . . 0.0 111.997 -174.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m -63.41 -25.44 68.28 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 176.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.77 -48.34 6.69 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.459 1.028 . . . . 0.0 111.201 171.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.14 -46.26 88.04 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.402 1.081 . . . . 0.0 112.436 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.09 -45.0 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 119.378 0.99 . . . . 0.0 110.514 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -70.39 -42.33 71.85 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.21 1.004 . . . . 0.0 113.057 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.07 -42.14 98.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.498 1.119 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -73.66 -39.47 64.44 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.914 0.886 . . . . 0.0 112.137 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -56.19 -41.43 75.55 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.983 0.513 . . . . 0.0 111.738 172.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -69.84 -31.83 69.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.857 1.263 . . . . 0.0 112.662 174.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -87.96 -0.53 57.13 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.941 1.459 . . . . 0.0 114.941 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.77 35.53 5.84 Favored Glycine 0 N--CA 1.472 1.044 0 C-N-CA 124.501 1.048 . . . . 0.0 114.272 172.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -91.31 149.06 21.91 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.109 0.955 . . . . 0.0 111.316 173.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -72.0 122.35 20.71 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.846 1.658 . . . . 0.0 110.316 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.18 -27.65 69.11 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -175.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -81.2 -14.44 57.54 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 mt -103.6 -5.5 22.6 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.617 1.167 . . . . 0.0 113.179 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.3 tpp -52.05 -44.01 64.05 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.598 1.159 . . . . 0.0 112.541 -174.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -54.83 -48.62 72.6 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.634 1.174 . . . . 0.0 112.332 173.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -61.42 -46.53 89.75 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.077 1.351 . . . . 0.0 110.698 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -65.62 -50.0 66.63 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.65 1.18 . . . . 0.0 112.714 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.8 m -64.93 -34.98 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.021 0.828 . . . . 0.0 111.501 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -71.52 -41.97 68.55 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.769 0.713 . . . . 0.0 112.104 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.53 -53.8 49.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.793 1.237 . . . . 0.0 110.303 170.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.96 -40.75 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.448 0.699 . . . . 0.0 112.037 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.03 -22.37 66.98 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -101.62 -14.09 17.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -89.45 -55.84 3.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.273 1.029 . . . . 0.0 111.562 172.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.5 p -114.49 -15.79 12.0 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m 68.92 26.52 5.78 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.871 1.269 . . . . 0.0 111.345 -166.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 71.08 32.01 2.37 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.155 2.182 . . . . 0.0 113.006 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -113.53 115.13 27.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.776 1.231 . . . . 0.0 111.478 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.5 p -70.04 -25.58 63.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 119.261 -0.4 . . . . 0.0 111.908 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -78.3 -2.4 37.85 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -68.84 142.31 54.88 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.225 -0.922 . . . . 0.0 113.094 -172.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.6 p -153.42 145.2 23.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.505 2.322 . . . . 0.0 111.379 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -156.14 127.11 6.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.781 1.632 . . . . 0.0 110.542 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.6 m -81.66 137.18 35.47 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.3 1.04 . . . . 0.0 110.495 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -99.48 160.68 14.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.717 1.607 . . . . 0.0 112.217 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.42 -23.91 67.61 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.44 1.096 . . . . 0.0 113.363 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -80.11 -4.46 52.97 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.402 1.481 . . . . 0.0 114.135 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.56 -3.47 85.13 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.227 1.394 . . . . 0.0 114.369 -177.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 p -79.68 178.91 7.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.551 1.54 . . . . 0.0 111.791 169.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -142.21 160.86 39.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.958 1.303 . . . . 0.0 110.644 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.21 148.3 23.69 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.282 1.033 . . . . 0.0 110.691 169.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -142.63 133.82 26.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.256 1.422 . . . . 0.0 111.488 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.55 -173.14 51.12 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 116.016 1.166 . . . . 0.0 116.016 169.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.35 -19.91 63.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -168.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -115.28 17.17 16.71 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.083 1.753 . . . . 0.0 111.194 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 55.61 46.37 22.93 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.072 1.749 . . . . 0.0 111.589 171.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.0 mt -77.26 133.33 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.456 1.102 . . . . 0.0 109.627 -169.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -101.13 140.29 35.64 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.594 0.712 . . . . 0.0 112.643 -173.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.81 -9.03 25.01 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.173 1.389 . . . . 0.0 114.322 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -86.41 -18.34 32.01 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.335 1.454 . . . . 0.0 113.145 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -131.6 -35.17 1.31 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -167.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -139.67 -40.17 0.45 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -167.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.8 p -102.15 169.15 8.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.08 0.952 . . . . 0.0 113.565 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.4 t -113.71 129.44 56.57 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.634 1.574 . . . . 0.0 111.082 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -89.14 -9.53 50.64 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.94 -159.04 21.31 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.663 1.125 . . . . 0.0 112.958 -173.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.89 2.02 24.92 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 t -159.95 143.9 10.64 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.46 1.104 . . . . 0.0 111.903 -171.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.68 150.95 79.61 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.415 2.743 . . . . 0.0 111.102 172.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 161.63 93.03 0.09 OUTLIER Glycine 0 N--CA 1.468 0.828 0 O-C-N 122.085 -0.385 . . . . 0.0 112.897 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -167.26 -175.16 2.83 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 129.055 2.942 . . . . 0.0 109.502 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -56.24 -23.56 36.77 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.554 1.142 . . . . 0.0 114.035 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 64.3 m -109.9 -1.85 17.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.221 1.409 . . . . 0.0 114.626 176.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 49.98 54.98 10.13 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.873 1.669 . . . . 0.0 113.538 173.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.1 144.03 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.571 1.148 . . . . 0.0 111.334 -172.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -97.1 135.26 39.33 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.135 1.374 . . . . 0.0 110.965 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.2 m -47.99 -37.71 15.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.772 1.629 . . . . 0.0 114.178 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -69.17 -33.57 73.6 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.62 -11.2 60.73 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.787 -1.195 . . . . 0.0 112.667 174.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.7 mt -81.36 -14.66 56.99 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.509 -0.745 . . . . 0.0 112.643 173.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.4 mt -97.57 8.91 43.77 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.249 1.42 . . . . 0.0 113.395 -176.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -85.11 -177.57 6.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.862 1.665 . . . . 0.0 112.31 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -85.73 -6.5 59.11 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -172.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -116.37 124.75 50.85 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.305 1.442 . . . . 0.0 109.655 169.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.5 pt -68.54 -14.97 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.632 1.173 . . . . 0.0 113.443 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.1 t -53.91 -33.26 56.12 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -169.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.45 -33.41 75.87 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.391 0.541 . . . . 0.0 111.605 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.65 -38.8 17.98 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.937 1.295 . . . . 0.0 111.525 173.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.22 75.77 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.041 0.936 . . . . 0.0 113.423 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -71.59 -30.13 65.47 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.716 -1.24 . . . . 0.0 112.427 173.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.2 t -67.31 -37.82 83.96 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.309 0.644 . . . . 0.0 110.956 169.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.28 93.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.163 0.985 . . . . 0.0 112.684 172.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -61.33 -40.97 96.2 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.195 1.361 . . . . 0.0 112.188 170.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -67.95 -21.9 65.06 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.301 1.04 . . . . 0.0 113.371 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 90.7 mt -79.86 -44.64 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.186 0.994 . . . . 0.0 110.326 168.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -25.89 56.26 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.313 1.445 . . . . 0.0 113.851 177.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -55.7 -26.64 46.06 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.487 1.515 . . . . 0.0 114.355 169.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.3 mtt85 -114.04 -37.97 4.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.503 1.521 . . . . 0.0 112.642 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -143.66 94.42 2.6 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.605 1.562 . . . . 0.0 110.758 -176.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -54.47 -39.7 67.73 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -171.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -142.93 -16.48 0.69 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.068 1.347 . . . . 0.0 113.561 176.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.38 -11.29 60.21 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -171.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.81 -7.3 47.46 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.212 1.005 . . . . 0.0 113.603 171.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.3 m-90 -125.3 127.75 47.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.419 1.488 . . . . 0.0 111.85 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -78.44 -32.82 48.74 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -170.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.6 -29.2 74.52 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.216 0.912 . . . . 0.0 112.593 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -64.25 -55.9 18.34 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.037 0.919 . . . . 0.0 112.072 172.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -69.74 -19.17 63.54 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -93.75 -28.07 16.14 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -130.55 -14.57 3.66 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -174.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.9 m -114.1 1.6 14.66 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 -169.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -33.05 59.33 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -171.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.17 -24.98 8.58 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.48 1.038 . . . . 0.0 114.777 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -153.31 138.54 17.45 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.241 1.416 . . . . 0.0 111.374 -171.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.9 mt -127.11 152.62 76.1 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 125.595 1.558 . . . . 0.0 112.03 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.43 156.1 62.32 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 124.307 3.338 . . . . 0.0 112.106 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -77.77 142.89 38.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.091 0.956 . . . . 0.0 111.63 170.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.78 -0.82 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.678 1.991 . . . . 0.0 112.876 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.6 p -66.54 -13.51 61.07 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.2 m -82.18 -8.09 59.64 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.919 1.288 . . . . 0.0 113.837 170.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.672 1.589 . . . . 0.0 112.102 -176.28 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.084 0 N-CA-C 111.983 -0.447 . . . . 0.0 111.983 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -156.67 162.98 39.81 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.88 1.672 . . . . 0.0 112.573 -171.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 m -108.5 132.91 53.34 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.707 1.203 . . . . 0.0 110.614 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -98.83 155.66 17.26 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.935 1.694 . . . . 0.0 110.778 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.4 t -93.88 161.34 14.35 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.764 1.226 . . . . 0.0 108.544 168.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -56.62 -46.61 80.83 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.363 0.983 . . . . 0.0 111.866 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.3 m -60.29 -37.91 81.96 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.582 -0.699 . . . . 0.0 112.815 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.66 -45.6 65.51 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.168 0.89 . . . . 0.0 111.63 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.35 -49.33 75.98 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.074 1.349 . . . . 0.0 111.919 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.6 t -50.37 -45.63 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.757 0.823 . . . . 0.0 110.449 174.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -69.2 -41.44 77.11 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.28 -41.89 99.05 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.61 1.164 . . . . 0.0 111.007 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.3 mt -72.5 -38.54 68.09 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.147 0.979 . . . . 0.0 112.154 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -58.23 -39.94 80.42 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.925 -0.484 . . . . 0.0 112.006 172.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -68.69 -36.46 78.53 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.655 0.782 . . . . 0.0 112.43 172.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -84.66 -4.23 58.91 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -174.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.89 36.26 3.75 Favored Glycine 0 N--CA 1.474 1.179 0 C-N-CA 124.597 1.094 . . . . 0.0 114.681 170.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -102.29 138.09 39.68 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.24 1.416 . . . . 0.0 109.205 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -75.8 140.06 42.12 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.917 0.487 . . . . 0.0 111.895 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -63.23 -23.55 67.48 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -84.25 -17.15 40.68 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 mt -98.25 -13.93 20.55 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.43 1.092 . . . . 0.0 112.748 172.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.7 tpp -51.59 -44.0 62.65 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.432 1.493 . . . . 0.0 112.997 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -54.8 -50.12 69.32 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.127 0.971 . . . . 0.0 112.326 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.92 -43.34 99.05 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.643 1.177 . . . . 0.0 110.916 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -66.62 -51.08 60.31 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.139 0.976 . . . . 0.0 112.87 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -65.78 -33.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.452 1.024 . . . . 0.0 111.796 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 t -71.01 -42.4 69.62 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.54 0.609 . . . . 0.0 111.733 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tt -55.64 -52.66 63.05 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.465 1.106 . . . . 0.0 110.279 170.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -60.09 -42.16 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.823 0.849 . . . . 0.0 111.851 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.66 -39.54 94.23 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 176.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -82.92 -13.17 56.57 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -94.58 -60.26 1.75 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.529 1.131 . . . . 0.0 112.047 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -112.41 -9.51 13.83 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -172.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m 66.87 22.34 10.22 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.406 1.482 . . . . 0.0 113.056 -169.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 72.65 27.66 2.26 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.826 1.65 . . . . 0.0 112.205 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -119.1 118.63 31.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.131 1.373 . . . . 0.0 111.203 -176.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -68.63 -26.13 65.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 119.14 -0.457 . . . . 0.0 111.885 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -77.7 -5.68 51.35 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -71.7 143.77 49.55 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.994 -1.066 . . . . 0.0 112.431 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 74.5 p -144.44 160.55 40.89 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.844 1.658 . . . . 0.0 111.819 174.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -149.49 131.85 15.61 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.246 1.418 . . . . 0.0 111.083 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.2 m -89.57 148.5 23.33 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.914 1.286 . . . . 0.0 110.382 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -115.47 158.36 22.66 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.628 1.571 . . . . 0.0 111.695 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.91 -24.6 67.92 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.582 1.153 . . . . 0.0 113.7 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -73.85 -13.9 60.99 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.112 1.365 . . . . 0.0 113.859 174.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.63 -1.36 68.78 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.384 1.469 . . . . 0.0 114.065 -175.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.6 p -78.27 161.37 27.31 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.3 1.05 . . . . 0.0 111.479 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -131.75 153.2 50.32 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.542 1.137 . . . . 0.0 110.727 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -102.21 143.99 31.31 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.367 1.867 . . . . 0.0 109.799 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -141.78 145.76 35.13 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.553 1.141 . . . . 0.0 113.456 -170.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.62 -175.5 53.24 Favored Glycine 0 N--CA 1.467 0.753 0 CA-C-O 122.054 0.808 . . . . 0.0 114.14 170.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -20.68 66.5 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -168.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -108.22 9.6 28.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.557 1.143 . . . . 0.0 111.677 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 50.72 56.54 7.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.782 1.633 . . . . 0.0 111.555 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.1 mt -81.23 132.37 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 125.608 1.563 . . . . 0.0 109.469 -171.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.09 137.15 35.57 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.501 0.667 . . . . 0.0 112.68 -170.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -66.22 -12.14 54.31 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -81.59 -26.55 34.83 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.529 1.132 . . . . 0.0 112.558 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -123.74 -34.46 3.03 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 -167.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -134.35 -37.3 0.87 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -167.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.4 p -108.94 162.21 14.43 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.13 0.972 . . . . 0.0 112.684 169.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.8 t -105.25 131.72 52.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.308 1.443 . . . . 0.0 111.82 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.21 -8.08 59.64 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 174.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.55 -161.89 20.05 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.83 1.205 . . . . 0.0 113.71 -170.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.98 -3.02 42.91 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.344 1.058 . . . . 0.0 113.743 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.3 p -157.41 154.67 26.07 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 125.836 1.654 . . . . 0.0 111.328 -172.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -69.77 152.76 69.36 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.436 2.757 . . . . 0.0 110.602 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.86 69.22 0.04 OUTLIER Glycine 0 N--CA 1.472 1.086 0 N-CA-C 114.317 0.487 . . . . 0.0 114.317 -171.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -149.64 -178.13 6.26 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.103 2.161 . . . . 0.0 110.425 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.64 -25.86 60.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.815 1.246 . . . . 0.0 113.554 172.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.3 m -103.33 -1.69 28.29 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.2 t30 52.31 54.23 11.07 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.882 1.673 . . . . 0.0 113.112 172.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.1 p -149.86 146.0 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.708 1.203 . . . . 0.0 111.161 -172.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -99.07 137.79 37.1 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.804 1.642 . . . . 0.0 110.848 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 68.0 m -51.16 -36.93 43.5 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.043 1.337 . . . . 0.0 113.923 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -70.13 -31.43 68.95 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -72.05 -11.4 60.74 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.621 -1.3 . . . . 0.0 112.307 173.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.5 mt -80.98 -15.36 56.44 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.472 -0.767 . . . . 0.0 112.399 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 mt -94.99 7.68 45.29 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.488 1.515 . . . . 0.0 112.99 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.4 t -80.67 -178.37 6.73 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.486 1.514 . . . . 0.0 112.11 -177.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -92.67 11.41 26.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.608 1.563 . . . . 0.0 113.781 -170.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -135.12 126.64 28.72 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.352 1.861 . . . . 0.0 108.147 169.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.3 pt -69.58 -14.14 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.263 1.025 . . . . 0.0 113.03 -174.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.0 t -54.44 -36.13 63.71 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.361 1.464 . . . . 0.0 114.007 -169.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.9 -32.74 73.15 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.263 -0.898 . . . . 0.0 112.235 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.17 -39.29 15.63 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.752 1.221 . . . . 0.0 111.626 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.71 85.07 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.182 0.993 . . . . 0.0 113.239 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.47 -32.94 73.29 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.819 -1.176 . . . . 0.0 112.416 175.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 45.3 t -66.45 -40.04 89.19 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.747 0.819 . . . . 0.0 110.915 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.95 83.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.209 1.004 . . . . 0.0 112.844 172.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -62.97 -42.36 99.81 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.613 1.551 . . . . 0.0 112.591 170.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.58 -24.3 67.05 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.437 -0.79 . . . . 0.0 112.856 176.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 91.9 mt -76.74 -48.63 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.484 -0.76 . . . . 0.0 110.548 168.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.05 -28.73 58.68 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.931 1.292 . . . . 0.0 113.755 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -56.44 -25.36 50.29 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.614 1.566 . . . . 0.0 114.945 170.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.4 mtt85 -115.4 -32.98 5.43 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.786 1.634 . . . . 0.0 112.79 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -145.08 82.47 1.66 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.829 2.052 . . . . 0.0 110.119 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.578 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -42.24 -43.49 3.44 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 126.157 1.783 . . . . 0.0 114.171 -171.645 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -145.69 -3.57 0.7 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.547 1.939 . . . . 0.0 112.773 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.51 -15.75 59.8 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.329 1.852 . . . . 0.0 113.88 -167.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.99 -5.7 52.12 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.977 1.311 . . . . 0.0 113.808 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.5 m-90 -118.63 146.12 44.9 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.501 1.52 . . . . 0.0 112.419 -174.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -90.4 -39.88 12.39 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.98 0.912 . . . . 0.0 113.36 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.4 -29.14 73.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 123.687 0.66 . . . . 0.0 112.37 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -66.56 -44.66 81.71 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -82.22 -17.86 44.61 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.19 -24.58 17.45 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -131.72 -45.54 0.97 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.5 m -70.46 -7.24 41.88 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -172.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -74.79 -24.89 58.72 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.068 0.947 . . . . 0.0 112.523 173.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.14 -46.96 3.99 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.132 0.873 . . . . 0.0 113.02 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.5 m -153.18 142.63 21.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.868 1.267 . . . . 0.0 111.672 -173.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.6 mt -118.95 149.73 47.28 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.641 1.576 . . . . 0.0 110.945 171.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.67 161.18 40.01 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.729 2.953 . . . . 0.0 111.276 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -78.83 149.73 32.46 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.869 0.867 . . . . 0.0 112.123 172.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 44.6 pt -131.36 -4.0 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 126.551 1.94 . . . . 0.0 113.279 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.2 m -70.16 -9.5 55.84 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.702 -1.249 . . . . 0.0 113.903 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.1 p -85.46 -10.3 56.32 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.823 1.649 . . . . 0.0 113.918 169.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.0 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.905 1.682 . . . . 0.0 112.282 -174.755 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.338 0 N-CA-C 112.126 -0.389 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -157.81 166.82 31.71 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.228 1.811 . . . . 0.0 112.706 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.4 m -110.43 137.12 48.56 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.096 1.358 . . . . 0.0 110.502 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -102.98 159.82 15.17 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.768 1.627 . . . . 0.0 111.396 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.5 t -101.26 163.82 12.09 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.374 1.47 . . . . 0.0 108.304 166.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -58.1 -48.03 81.42 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.938 0.79 . . . . 0.0 112.008 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.65 -38.13 83.81 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.629 -0.669 . . . . 0.0 112.797 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.58 -47.2 86.36 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 123.913 0.768 . . . . 0.0 111.557 174.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.9 tp -64.29 -47.13 80.67 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.917 -1.039 . . . . 0.0 112.149 176.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.2 t -49.39 -46.17 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 119.419 1.008 . . . . 0.0 110.421 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -69.77 -42.5 73.75 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.974 0.91 . . . . 0.0 113.153 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.11 -37.84 88.77 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.417 1.087 . . . . 0.0 111.869 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.2 mt -74.02 -38.15 64.14 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.573 0.749 . . . . 0.0 112.026 174.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.84 -39.31 80.87 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 121.912 -0.493 . . . . 0.0 111.836 171.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -66.17 -31.19 71.88 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.637 1.175 . . . . 0.0 112.783 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -97.09 5.46 50.25 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.431 1.492 . . . . 0.0 114.621 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.81 37.48 6.4 Favored Glycine 0 N--CA 1.472 1.097 0 C-N-CA 124.32 0.962 . . . . 0.0 114.481 171.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -101.34 137.78 39.22 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.908 1.283 . . . . 0.0 109.503 172.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -77.23 140.49 40.11 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.551 0.74 . . . . 0.0 111.596 -173.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -64.75 -24.3 67.52 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -82.24 -15.99 51.15 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.959 0.904 . . . . 0.0 113.38 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.8 mt -98.22 -19.32 17.92 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.813 1.245 . . . . 0.0 112.283 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.1 tpp -49.43 -45.32 46.25 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.108 1.763 . . . . 0.0 113.484 -174.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -56.73 -43.97 81.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.231 1.012 . . . . 0.0 113.045 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -65.53 -47.17 76.82 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.173 0.589 . . . . 0.0 110.943 173.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -62.05 -49.02 77.64 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.518 0.727 . . . . 0.0 112.843 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 m -66.51 -36.59 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.299 0.954 . . . . 0.0 111.709 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -68.58 -38.96 81.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.727 0.694 . . . . 0.0 111.878 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.78 -52.71 63.11 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.39 1.476 . . . . 0.0 110.598 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.01 -38.69 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.574 -0.704 . . . . 0.0 112.082 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -68.79 -31.13 69.91 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.569 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -34.79 60.54 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.826 1.194 . . . . 0.0 111.651 173.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -76.98 -69.06 0.55 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.247 1.019 . . . . 0.0 111.296 -173.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.7 p -107.89 -10.91 15.45 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -175.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.4 m 68.34 28.59 6.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.689 1.595 . . . . 0.0 111.802 -168.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 67.96 34.34 4.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.375 1.87 . . . . 0.0 112.65 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -117.93 113.97 22.5 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.805 0.842 . . . . 0.0 111.804 -177.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 p -69.02 -26.57 65.06 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 122.318 -0.238 . . . . 0.0 111.441 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.0 m -73.81 -6.33 46.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.357 1.063 . . . . 0.0 113.681 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -76.08 143.34 41.39 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.218 -0.926 . . . . 0.0 112.889 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.2 p -148.75 161.49 41.67 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.177 2.191 . . . . 0.0 110.494 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -158.61 131.45 7.14 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.238 1.015 . . . . 0.0 111.755 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m -82.51 135.79 35.03 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.34 1.056 . . . . 0.0 110.178 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.428 HD21 ' ND2' ' A' ' 57' ' ' ASN . 78.4 m-20 -91.75 158.53 16.31 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.018 1.327 . . . . 0.0 111.907 178.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -63.8 -22.22 66.8 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.29 1.036 . . . . 0.0 113.429 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -93.41 8.03 42.14 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.672 1.589 . . . . 0.0 113.892 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.04 -7.23 82.01 Favored Glycine 0 N--CA 1.477 1.411 0 C-N-CA 125.311 1.434 . . . . 0.0 115.608 172.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.0 p -77.53 173.24 12.22 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.842 1.257 . . . . 0.0 111.622 169.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -130.85 164.99 23.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.686 1.194 . . . . 0.0 110.803 174.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.28 150.78 26.85 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.815 1.646 . . . . 0.0 110.315 169.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -145.77 143.02 29.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.353 1.461 . . . . 0.0 113.235 -172.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.32 -178.96 51.06 Favored Glycine 0 N--CA 1.468 0.784 0 O-C-N 121.537 -0.727 . . . . 0.0 114.812 169.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.96 -28.34 68.91 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 115.724 1.75 . . . . 0.0 115.724 -168.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -101.87 8.24 41.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.388 1.075 . . . . 0.0 111.992 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 56.94 54.28 7.22 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.012 1.725 . . . . 0.0 110.659 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.9 mt -84.5 137.2 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.276 1.83 . . . . 0.0 110.684 -169.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.428 ' ND2' HD21 ' A' ' 44' ' ' ASN . 34.5 m120 -98.02 141.28 31.17 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -172.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -67.81 -9.93 48.49 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -102.7 -3.1 27.03 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.057 1.743 . . . . 0.0 112.796 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -132.55 -39.31 1.01 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 -169.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -144.29 -40.59 0.27 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -168.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 p -104.5 167.73 9.55 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.936 0.895 . . . . 0.0 112.47 169.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.64 139.84 51.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.935 1.294 . . . . 0.0 112.253 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -100.88 -8.4 22.58 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -170.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.08 -154.55 9.68 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.409 1.004 . . . . 0.0 112.944 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.43 -1.27 26.24 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.6 p -158.79 155.87 25.7 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.178 1.391 . . . . 0.0 112.299 -171.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -71.41 159.35 51.81 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.494 2.796 . . . . 0.0 110.669 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.69 71.16 0.03 OUTLIER Glycine 0 N--CA 1.472 1.082 0 O-C-N 121.905 -0.497 . . . . 0.0 114.093 -175.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -151.82 -178.3 6.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.247 2.219 . . . . 0.0 110.649 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.2 -24.63 67.33 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.081 0.952 . . . . 0.0 113.101 175.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.84 -4.11 31.14 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.895 1.278 . . . . 0.0 114.061 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 51.32 53.0 13.66 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.09 1.756 . . . . 0.0 113.349 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.1 p -150.36 142.56 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.546 1.138 . . . . 0.0 111.326 -171.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -92.85 135.58 34.01 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.327 1.451 . . . . 0.0 111.263 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.4 m -48.1 -37.77 16.07 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.222 1.809 . . . . 0.0 114.213 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -72.25 -30.41 64.85 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.75 -20.88 64.39 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.745 -1.222 . . . . 0.0 112.281 174.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.45 -14.85 61.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.626 0.77 . . . . 0.0 112.604 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.2 mt -95.0 7.39 46.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.56 1.544 . . . . 0.0 113.1 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.4 p -78.05 176.73 8.91 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.155 1.382 . . . . 0.0 112.271 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.94 -4.04 57.75 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.605 1.562 . . . . 0.0 114.861 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -116.91 123.93 48.21 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.283 1.433 . . . . 0.0 109.253 169.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.5 pt -66.59 -14.68 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.276 1.03 . . . . 0.0 113.223 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.7 t -53.33 -35.49 60.27 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.434 1.494 . . . . 0.0 114.316 -169.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -61.87 -35.62 78.85 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.577 -0.702 . . . . 0.0 111.865 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.05 -38.35 17.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.131 1.372 . . . . 0.0 111.804 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.36 -42.03 79.77 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.436 1.094 . . . . 0.0 113.042 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -67.76 -32.71 73.49 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.746 -1.221 . . . . 0.0 112.212 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.99 -38.24 82.44 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.744 0.818 . . . . 0.0 111.101 170.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.77 88.37 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.145 0.978 . . . . 0.0 112.739 171.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -61.77 -42.41 98.95 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.343 1.429 . . . . 0.0 112.164 169.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.05 -22.51 64.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.737 0.815 . . . . 0.0 113.08 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 85.3 mt -78.13 -45.17 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.494 -0.753 . . . . 0.0 110.22 168.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -30.25 63.14 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.777 1.231 . . . . 0.0 113.464 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -58.1 -28.58 64.75 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.703 1.601 . . . . 0.0 114.171 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -98.04 -44.07 6.79 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.727 1.611 . . . . 0.0 110.891 176.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -151.16 98.68 2.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.29 2.236 . . . . 0.0 110.485 -174.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -51.86 -40.91 61.36 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -170.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -143.84 -13.4 0.65 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.062 1.345 . . . . 0.0 113.636 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.57 -13.95 62.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.84 1.256 . . . . 0.0 114.038 -172.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.23 -7.54 47.54 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.57 1.148 . . . . 0.0 113.989 174.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 -125.24 124.7 42.25 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.377 1.471 . . . . 0.0 111.164 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -71.77 -38.89 70.28 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -167.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.57 -22.1 74.92 Favored Glycine 0 N--CA 1.474 1.191 0 C-N-CA 123.886 0.755 . . . . 0.0 113.616 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -66.64 -43.55 84.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.603 1.202 . . . . 0.0 111.129 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -86.33 -15.36 40.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -98.8 -31.09 12.05 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -127.2 -42.46 1.7 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -171.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.6 m -72.38 -7.77 51.46 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -73.62 -22.89 59.87 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.992 0.917 . . . . 0.0 112.854 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.64 -33.13 31.68 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 118.769 0.713 . . . . 0.0 113.576 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 m -172.41 143.16 1.37 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 127.288 2.235 . . . . 0.0 110.378 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -110.94 149.42 40.4 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.05 1.34 . . . . 0.0 110.847 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -70.12 148.33 62.49 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.418 2.745 . . . . 0.0 110.632 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -77.3 146.91 36.53 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 122.274 1.035 . . . . 0.0 111.424 171.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.4 pt -130.39 0.81 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.826 2.05 . . . . 0.0 112.641 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.3 m -61.8 -17.89 57.88 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -173.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.1 m -85.78 -6.97 59.03 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.116 1.367 . . . . 0.0 113.837 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.724 1.61 . . . . 0.0 111.96 -176.216 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -155.4 166.48 33.42 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.755 1.622 . . . . 0.0 112.564 -173.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.7 m -109.14 134.64 51.45 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.698 1.199 . . . . 0.0 110.731 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -101.75 156.5 17.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.47 1.908 . . . . 0.0 110.527 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -95.85 161.13 14.14 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.819 1.248 . . . . 0.0 108.577 168.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.19 -45.94 79.6 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.449 1.022 . . . . 0.0 111.876 -175.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.17 -38.13 82.27 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.05 -44.55 60.54 Favored Glycine 0 N--CA 1.468 0.796 0 C-N-CA 124.058 0.837 . . . . 0.0 111.576 176.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.54 -49.81 73.84 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.15 1.38 . . . . 0.0 111.955 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.2 t -50.04 -45.15 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.859 0.863 . . . . 0.0 110.491 174.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -69.42 -43.38 73.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.223 1.009 . . . . 0.0 113.709 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.84 -38.44 90.79 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.824 1.25 . . . . 0.0 111.365 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.2 mt -74.21 -42.15 60.23 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.987 0.915 . . . . 0.0 111.993 175.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -55.68 -42.84 75.71 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.582 0.628 . . . . 0.0 111.67 172.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -63.55 -39.35 94.17 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.43 1.892 . . . . 0.0 112.258 172.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -84.94 8.9 16.0 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.322 1.449 . . . . 0.0 114.365 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.34 25.79 27.47 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.902 1.239 . . . . 0.0 115.226 169.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -87.88 139.64 30.31 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.676 1.238 . . . . 0.0 109.89 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -75.64 136.62 40.44 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.763 0.825 . . . . 0.0 111.859 -175.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.38 -27.72 67.65 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -78.94 -19.61 51.32 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.8 mt -96.9 -19.0 19.14 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.796 1.238 . . . . 0.0 112.33 175.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.6 tpp -47.95 -45.46 31.16 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.345 1.858 . . . . 0.0 113.203 -175.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -56.74 -46.95 81.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.3 1.04 . . . . 0.0 113.118 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -63.92 -44.24 93.51 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.399 0.545 . . . . 0.0 111.192 174.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -64.17 -49.18 73.07 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.574 0.749 . . . . 0.0 112.969 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 m -66.69 -33.51 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 119.224 0.92 . . . . 0.0 111.834 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.4 t -71.35 -43.21 67.39 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.408 0.549 . . . . 0.0 111.893 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -53.46 -53.92 44.41 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.494 1.517 . . . . 0.0 110.345 169.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.95 -42.37 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.762 0.825 . . . . 0.0 111.89 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -63.71 -35.12 79.52 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -85.15 -18.35 34.43 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -88.19 -61.2 1.77 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.028 0.931 . . . . 0.0 111.877 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.3 p -113.5 -8.62 13.35 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m 61.2 30.83 19.48 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.409 1.084 . . . . 0.0 112.69 -169.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 mtm-85 73.25 28.5 1.82 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.079 1.752 . . . . 0.0 112.558 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -119.92 117.5 28.26 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.492 1.517 . . . . 0.0 111.427 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.8 p -69.36 -24.76 63.93 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 119.019 -0.515 . . . . 0.0 112.287 -178.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -78.82 -4.48 49.68 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -73.1 143.08 47.5 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.995 -1.065 . . . . 0.0 112.938 -172.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.6 p -142.57 151.62 41.74 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.095 1.758 . . . . 0.0 111.826 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -145.73 131.84 19.36 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.715 1.606 . . . . 0.0 110.487 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.2 m -104.56 144.34 31.83 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.227 1.411 . . . . 0.0 110.518 -173.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -113.6 161.42 17.45 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.698 1.599 . . . . 0.0 112.403 -172.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -61.4 -25.67 67.34 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.901 1.28 . . . . 0.0 113.939 -176.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -81.01 -5.73 57.94 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.17 0.43 80.48 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.923 1.249 . . . . 0.0 114.293 -175.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.2 p -79.21 158.57 27.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.691 1.197 . . . . 0.0 111.724 170.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -136.68 148.49 47.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.685 1.194 . . . . 0.0 110.927 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -101.95 140.58 36.04 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.464 1.905 . . . . 0.0 110.207 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -138.71 150.84 46.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.975 1.31 . . . . 0.0 112.918 -169.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.12 -178.39 49.24 Favored Glycine 0 N--CA 1.468 0.823 0 O-C-N 121.449 -0.782 . . . . 0.0 113.944 171.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -24.61 67.87 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -169.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -102.06 5.35 40.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.313 1.045 . . . . 0.0 111.95 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 50.36 63.82 2.05 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.037 1.735 . . . . 0.0 111.261 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.407 ' CG2' ' HB2' ' A' ' 61' ' ' TRP . 10.5 mt -86.57 131.99 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.595 1.558 . . . . 0.0 109.774 -173.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -90.82 138.7 31.38 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -67.75 -13.0 61.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -86.57 -26.05 24.69 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.876 0.871 . . . . 0.0 112.635 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -115.97 -35.01 4.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.744 2.128 . . . . 0.0 116.744 -167.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.407 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 57.1 m95 -140.69 -34.04 0.53 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -167.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.3 p -111.1 163.51 13.8 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.448 1.022 . . . . 0.0 112.683 168.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.2 t -106.82 133.93 50.74 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.751 1.621 . . . . 0.0 111.886 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.96 -8.45 59.16 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 175.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.98 -160.52 18.31 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.905 1.241 . . . . 0.0 114.372 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.19 -9.15 59.49 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.261 1.024 . . . . 0.0 113.665 176.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.2 m -146.19 152.64 47.36 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.886 1.674 . . . . 0.0 111.154 -176.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -66.8 154.69 73.65 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.366 2.711 . . . . 0.0 110.487 169.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.46 69.51 0.04 OUTLIER Glycine 0 N--CA 1.473 1.11 0 N-CA-C 114.723 0.649 . . . . 0.0 114.723 -171.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -150.3 -177.46 5.96 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.058 2.143 . . . . 0.0 110.517 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -58.32 -26.06 62.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.605 1.162 . . . . 0.0 113.183 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 52.9 m -102.04 -3.26 27.94 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.081 1.352 . . . . 0.0 114.477 176.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.5 t30 51.73 54.91 10.14 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.799 1.64 . . . . 0.0 113.334 173.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.3 p -150.55 148.03 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.018 1.327 . . . . 0.0 110.813 -173.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -102.44 137.99 39.95 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.574 1.549 . . . . 0.0 111.347 -177.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 67.3 m -51.19 -37.51 47.01 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.608 1.563 . . . . 0.0 114.267 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.2 t -71.24 -32.31 68.61 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.57 -15.24 62.27 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.823 -1.173 . . . . 0.0 112.617 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.94 -13.94 60.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.803 0.841 . . . . 0.0 112.687 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.6 mt -93.98 9.87 35.78 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.449 1.5 . . . . 0.0 112.769 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.1 p -75.46 174.83 9.12 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.745 1.618 . . . . 0.0 112.135 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -88.94 8.07 31.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.785 1.234 . . . . 0.0 113.842 -173.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -132.33 125.92 32.07 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.877 1.671 . . . . 0.0 107.854 168.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.9 pt -66.03 -12.54 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 124.934 1.294 . . . . 0.0 113.389 -173.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -53.91 -35.44 61.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.002 1.721 . . . . 0.0 114.728 -169.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -63.47 -34.75 78.46 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.302 0.956 . . . . 0.0 112.221 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.81 -39.41 20.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.551 1.14 . . . . 0.0 111.317 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.5 87.92 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.19 0.996 . . . . 0.0 113.474 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -68.12 -34.12 75.79 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.955 -1.091 . . . . 0.0 112.371 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.2 t -67.38 -39.21 85.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.598 0.759 . . . . 0.0 111.074 170.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.62 76.0 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.12 0.968 . . . . 0.0 112.733 172.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -64.35 -44.02 92.78 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.454 1.479 . . . . 0.0 112.677 170.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -66.39 -24.71 66.52 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.554 -0.716 . . . . 0.0 112.719 176.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 91.2 mt -74.47 -49.1 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.655 -0.653 . . . . 0.0 110.083 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -30.36 63.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.745 1.218 . . . . 0.0 113.671 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -56.5 -26.5 54.63 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.928 1.691 . . . . 0.0 114.387 169.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -110.48 -33.86 6.48 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.394 1.878 . . . . 0.0 112.272 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -152.31 86.95 1.3 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.774 2.43 . . . . 0.0 110.398 -173.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -49.25 -42.42 40.66 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -170.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -140.09 -4.31 1.35 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.271 1.428 . . . . 0.0 112.793 169.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -12.65 60.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.358 1.863 . . . . 0.0 114.102 -168.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.31 -8.06 59.68 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.548 1.139 . . . . 0.0 113.578 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.9 m-90 -119.35 117.84 29.6 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.535 1.134 . . . . 0.0 113.297 -171.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.414 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . 1.1 m-85 -63.74 -35.1 79.48 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.267 1.827 . . . . 0.0 112.104 176.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.33 -16.89 67.74 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.424 1.488 . . . . 0.0 112.841 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -94.65 -47.55 6.46 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.268 1.027 . . . . 0.0 112.488 171.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 104' ' ' TYR . 19.2 ptpt -70.62 -17.31 62.89 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -98.77 -8.04 26.6 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -137.75 -39.92 0.56 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -170.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.5 m -76.88 -1.64 29.43 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -176.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -84.64 -21.53 30.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.32 1.048 . . . . 0.0 112.795 -174.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.23 -52.55 1.72 Allowed Glycine 0 N--CA 1.471 1.023 0 C-N-CA 124.585 1.088 . . . . 0.0 112.637 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.0 m -153.36 150.65 29.08 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.402 1.481 . . . . 0.0 111.471 -173.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.3 mt -118.93 152.68 52.06 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.345 1.458 . . . . 0.0 111.828 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -68.93 148.61 70.79 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.782 2.988 . . . . 0.0 110.701 173.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -78.88 149.55 32.41 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 122.399 1.095 . . . . 0.0 111.855 172.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.4 pt -133.19 1.05 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 127.094 2.158 . . . . 0.0 112.765 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.4 m -63.66 -12.39 33.52 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -173.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.6 p -88.63 -9.95 50.35 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.065 1.746 . . . . 0.0 114.108 172.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.2 m . . . . . 0 C--O 1.251 1.159 0 C-N-CA 126.078 1.751 . . . . 0.0 112.354 -175.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.079 0 CA-C-O 121.333 0.407 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.41 165.93 34.9 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.131 1.773 . . . . 0.0 112.418 -172.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m -114.74 132.51 56.41 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.691 1.197 . . . . 0.0 110.763 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.68 160.41 14.33 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.679 1.592 . . . . 0.0 111.628 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 t -101.05 165.16 11.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.418 1.487 . . . . 0.0 108.458 166.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -58.18 -49.56 76.6 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.204 0.911 . . . . 0.0 112.033 -173.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.52 -38.03 83.07 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.39 -48.17 81.05 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 123.96 0.79 . . . . 0.0 111.476 174.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.45 -47.22 79.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.336 1.054 . . . . 0.0 112.325 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.0 t -49.59 -46.46 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.302 0.955 . . . . 0.0 110.305 174.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -69.68 -41.0 76.05 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.031 0.932 . . . . 0.0 113.103 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.12 -42.68 99.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.245 1.018 . . . . 0.0 111.13 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.2 mt -71.97 -37.68 69.85 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.893 0.877 . . . . 0.0 112.123 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -58.95 -42.64 90.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.3 0.64 . . . . 0.0 111.99 172.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -66.3 -34.87 78.97 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.594 0.758 . . . . 0.0 112.321 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -85.37 -1.4 56.97 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.19 18.71 18.71 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.122 1.344 . . . . 0.0 115.383 169.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -77.76 161.18 27.89 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.754 1.277 . . . . 0.0 112.17 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -82.92 125.07 30.96 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.659 1.583 . . . . 0.0 110.319 -172.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -66.7 -22.79 66.07 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -85.16 -14.21 47.67 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.159 0.983 . . . . 0.0 113.581 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.77 -9.24 19.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.306 1.042 . . . . 0.0 113.208 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.5 tpp -48.73 -43.16 37.17 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.087 1.355 . . . . 0.0 113.155 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -55.33 -51.27 67.28 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.378 1.071 . . . . 0.0 112.692 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -61.93 -42.09 98.7 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.426 0.691 . . . . 0.0 111.625 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -63.75 -50.87 67.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.451 0.7 . . . . 0.0 112.394 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.6 m -66.91 -34.47 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.016 0.825 . . . . 0.0 111.728 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.21 -34.63 71.03 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.854 0.686 . . . . 0.0 112.854 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.67 -55.18 25.44 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.9 1.68 . . . . 0.0 109.849 169.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -62.13 -40.9 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.705 0.802 . . . . 0.0 112.038 -175.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.12 -41.77 99.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.925 0.49 . . . . 0.0 112.226 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.14 -32.64 69.23 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.794 -1.191 . . . . 0.0 113.249 175.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -77.75 -61.94 1.83 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.736 0.815 . . . . 0.0 112.077 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 97.3 p -113.86 -6.24 13.23 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -175.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.8 m 64.38 26.24 13.53 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.889 1.276 . . . . 0.0 112.366 -168.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 66.38 33.11 7.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.926 1.69 . . . . 0.0 112.774 -176.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -114.05 116.24 28.86 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.917 1.287 . . . . 0.0 111.089 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -69.99 -25.98 63.86 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 119.122 -0.466 . . . . 0.0 112.054 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -76.62 -3.04 35.64 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.362 0.983 . . . . 0.0 113.331 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -75.11 144.03 43.07 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.169 0.988 . . . . 0.0 112.884 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.4 p -146.05 159.69 42.92 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.946 2.098 . . . . 0.0 110.862 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -153.66 128.97 9.79 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.637 0.775 . . . . 0.0 111.88 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -88.37 143.1 27.21 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.372 1.469 . . . . 0.0 110.946 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -104.12 159.6 15.54 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.875 1.27 . . . . 0.0 112.019 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -57.35 -31.03 65.33 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.71 1.204 . . . . 0.0 114.111 175.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -68.51 -17.06 64.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.477 1.911 . . . . 0.0 114.455 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.34 -1.25 69.4 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.952 1.263 . . . . 0.0 114.173 -173.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.2 p -77.84 168.04 20.56 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.582 1.553 . . . . 0.0 111.041 169.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -146.21 145.87 30.59 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.292 1.037 . . . . 0.0 111.655 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.71 150.31 20.51 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.605 1.562 . . . . 0.0 111.129 172.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -144.8 147.78 33.28 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.207 1.803 . . . . 0.0 112.957 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.51 -177.86 52.39 Favored Glycine 0 N--CA 1.467 0.762 0 CA-C-O 122.241 0.912 . . . . 0.0 115.114 169.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -27.88 69.6 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -169.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.17 9.54 41.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.03 0.932 . . . . 0.0 111.456 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 54.41 54.74 8.97 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.356 1.462 . . . . 0.0 110.318 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.4 mt -84.47 129.18 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.43 1.492 . . . . 0.0 110.085 -169.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -94.05 137.38 33.32 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -170.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -66.32 -12.55 57.24 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -176.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -85.81 -15.93 40.38 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.8 1.24 . . . . 0.0 113.006 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -132.9 -34.17 1.13 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -166.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -136.67 -41.95 0.61 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -167.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.5 p -106.37 165.49 11.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.876 0.87 . . . . 0.0 112.141 168.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -116.93 137.57 52.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.542 1.137 . . . . 0.0 112.544 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.83 -8.09 56.37 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -173.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.8 -164.8 16.46 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.603 1.097 . . . . 0.0 113.098 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.47 -8.75 58.87 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m -140.68 153.13 67.64 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 126.133 1.773 . . . . 0.0 110.961 -176.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -69.89 162.5 41.91 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.66 2.907 . . . . 0.0 111.313 173.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.16 72.51 0.03 OUTLIER Glycine 0 N--CA 1.473 1.151 0 N-CA-C 114.393 0.517 . . . . 0.0 114.393 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -153.2 -178.03 6.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.361 2.264 . . . . 0.0 110.578 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.38 -23.06 66.6 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.261 1.025 . . . . 0.0 113.12 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.7 m -101.9 -1.96 30.91 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 173.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.4 t30 52.18 53.93 11.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.992 1.717 . . . . 0.0 113.209 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.3 p -149.79 148.95 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.633 1.173 . . . . 0.0 111.447 -172.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -102.37 134.78 45.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.121 1.769 . . . . 0.0 111.37 -175.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.7 m -51.15 -37.41 46.12 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.523 1.529 . . . . 0.0 113.873 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -71.76 -32.57 67.82 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -73.83 -7.77 53.5 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.753 -1.217 . . . . 0.0 112.398 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.7 mt -81.23 -14.22 57.71 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.417 -0.802 . . . . 0.0 112.648 169.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.4 mt -95.06 6.12 49.97 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.122 1.369 . . . . 0.0 113.382 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 t -79.43 -179.52 6.85 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.611 1.564 . . . . 0.0 112.134 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -91.95 11.34 25.42 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.704 1.601 . . . . 0.0 113.726 -170.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -133.81 125.79 29.2 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.287 1.835 . . . . 0.0 108.352 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.6 pt -69.09 -14.89 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.242 1.017 . . . . 0.0 113.173 -175.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.6 t -54.94 -34.25 63.03 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.0 1.32 . . . . 0.0 114.005 -169.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.62 -35.45 79.61 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.274 -0.891 . . . . 0.0 112.161 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.64 -38.74 21.14 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.348 1.059 . . . . 0.0 111.483 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.34 78.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.276 1.031 . . . . 0.0 113.286 -175.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -67.02 -35.14 79.26 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.87 -1.144 . . . . 0.0 112.228 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.9 t -66.68 -38.96 87.86 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.849 0.86 . . . . 0.0 110.984 172.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.23 77.34 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.128 0.971 . . . . 0.0 112.69 173.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -63.44 -43.85 96.22 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.053 1.297 . . . . 0.0 112.202 171.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -68.56 -21.72 64.52 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.41 -0.806 . . . . 0.0 113.066 176.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 90.9 mt -76.24 -46.0 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.131 -0.98 . . . . 0.0 110.202 168.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -30.57 64.06 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.519 1.128 . . . . 0.0 113.382 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -58.75 -28.31 65.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.643 1.577 . . . . 0.0 114.29 169.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -97.22 -43.96 7.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.5 1.52 . . . . 0.0 110.967 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -151.49 99.93 2.67 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.179 2.191 . . . . 0.0 110.386 -175.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -51.11 -41.04 59.77 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -170.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -142.18 -15.67 0.77 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.766 1.226 . . . . 0.0 113.733 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.01 -13.39 61.6 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -171.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.52 -11.2 60.77 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.16 0.984 . . . . 0.0 113.55 170.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 24.6 m-90 -118.67 110.46 17.33 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.581 1.552 . . . . 0.0 111.485 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -54.29 -37.22 64.53 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.263 -1.335 . . . . 0.0 112.588 169.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -70.06 -8.73 62.06 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.64 1.114 . . . . 0.0 114.537 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -84.6 -61.26 1.83 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.136 1.468 . . . . 0.0 109.354 167.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -66.22 -9.76 35.3 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -70.79 -31.38 68.12 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.255 -0.903 . . . . 0.0 112.923 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.96 -18.17 0.12 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 118.208 2.67 . . . . 0.0 118.208 -168.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 98.7 m -71.4 -32.39 68.36 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.268 1.395 . . . . 0.0 113.288 -172.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -74.25 -11.24 60.22 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.297 1.439 . . . . 0.0 113.581 170.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.26 -48.33 4.86 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.705 1.145 . . . . 0.0 111.506 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 t -166.5 148.67 6.63 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.878 1.271 . . . . 0.0 112.08 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.8 mt -114.76 150.37 43.93 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 125.658 1.583 . . . . 0.0 111.833 174.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -72.46 156.75 53.99 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.87 3.046 . . . . 0.0 111.396 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -79.13 139.32 38.07 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.741 0.816 . . . . 0.0 111.332 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 41.6 pt -128.39 -1.3 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.2 1.8 . . . . 0.0 113.044 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.4 p -66.46 -14.49 62.3 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -172.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 55.6 m -83.88 -7.28 59.47 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.961 1.304 . . . . 0.0 113.819 170.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.688 1.595 . . . . 0.0 112.01 -176.177 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -159.27 -179.83 8.33 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.085 2.154 . . . . 0.0 111.741 -172.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.8 m -139.62 142.03 37.07 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.544 1.138 . . . . 0.0 111.148 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -114.59 158.52 21.59 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.809 1.643 . . . . 0.0 112.032 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 t -102.99 163.24 12.32 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.609 1.564 . . . . 0.0 107.875 166.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -57.5 -45.34 85.04 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.285 0.948 . . . . 0.0 111.901 -174.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.9 m -62.36 -28.65 69.91 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.19 -48.47 9.57 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 124.373 0.987 . . . . 0.0 111.279 173.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.25 -47.65 83.45 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.538 1.135 . . . . 0.0 112.232 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -50.76 -44.95 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.155 0.889 . . . . 0.0 110.576 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -69.71 -43.69 71.89 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.168 0.987 . . . . 0.0 113.122 177.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.0 -42.01 93.34 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.718 1.207 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt -73.61 -40.96 63.44 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.152 0.981 . . . . 0.0 112.194 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -55.6 -40.57 72.25 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.953 0.501 . . . . 0.0 111.773 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -72.41 -25.77 61.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.45 1.1 . . . . 0.0 113.38 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -93.04 2.42 56.78 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.298 1.439 . . . . 0.0 114.348 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.12 33.32 7.34 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 124.604 1.097 . . . . 0.0 114.349 172.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -90.83 146.83 23.61 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.263 1.032 . . . . 0.0 111.327 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -72.11 122.72 21.46 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.949 1.7 . . . . 0.0 110.487 -174.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.99 -26.46 68.86 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -174.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -81.76 -17.01 49.19 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.061 0.944 . . . . 0.0 113.519 174.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -97.84 -11.72 22.96 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.355 1.062 . . . . 0.0 113.122 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -48.21 -42.67 30.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.536 1.534 . . . . 0.0 113.201 -174.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -55.33 -51.04 68.03 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.247 1.019 . . . . 0.0 112.675 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -63.17 -41.22 99.2 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.494 0.718 . . . . 0.0 111.448 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -64.44 -50.23 68.35 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.34 0.656 . . . . 0.0 112.588 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 m -67.42 -33.51 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 119.1 0.864 . . . . 0.0 111.821 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -71.71 -35.35 70.17 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.656 0.662 . . . . 0.0 112.702 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tt -61.86 -55.7 27.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.794 1.638 . . . . 0.0 109.673 169.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.69 -42.83 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.896 0.878 . . . . 0.0 111.946 -176.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -62.41 -38.77 90.97 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -77.64 -25.19 49.52 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.696 -1.252 . . . . 0.0 113.568 176.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -81.86 -55.57 4.52 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.564 0.746 . . . . 0.0 112.001 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -119.77 -4.53 10.21 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.864 -1.148 . . . . 0.0 113.871 -172.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 m 60.17 19.07 8.41 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.992 1.317 . . . . 0.0 113.005 -169.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 69.51 32.74 3.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.573 1.949 . . . . 0.0 113.187 -172.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -110.54 118.47 36.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.952 1.301 . . . . 0.0 109.565 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -66.88 -28.66 68.51 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 121.555 -0.715 . . . . 0.0 111.771 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 m -72.2 -8.24 53.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.903 1.281 . . . . 0.0 114.287 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -76.64 140.23 40.89 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.999 -1.063 . . . . 0.0 113.044 -171.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.2 p -136.52 158.21 44.97 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.802 1.641 . . . . 0.0 111.729 172.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -146.74 126.92 13.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.28 1.432 . . . . 0.0 110.709 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -93.67 137.91 32.44 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.729 1.212 . . . . 0.0 110.058 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -98.49 157.77 16.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.528 1.531 . . . . 0.0 111.781 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -63.02 -23.35 67.41 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.366 1.066 . . . . 0.0 113.239 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -85.59 3.25 41.53 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.659 1.584 . . . . 0.0 113.701 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.52 -1.89 84.34 Favored Glycine 0 N--CA 1.475 1.252 0 C-N-CA 125.367 1.461 . . . . 0.0 115.677 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.5 p -87.04 163.38 17.07 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.621 1.211 . . . . 0.0 111.741 171.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -129.05 149.2 50.97 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.51 1.124 . . . . 0.0 111.228 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -101.29 142.17 33.09 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.355 1.862 . . . . 0.0 109.854 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -139.81 146.89 39.99 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.75 1.22 . . . . 0.0 113.555 -169.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.55 -176.79 52.07 Favored Glycine 0 N--CA 1.469 0.894 0 O-C-N 121.613 -0.679 . . . . 0.0 114.276 170.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.15 -23.29 67.26 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -169.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -103.5 6.2 37.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.44 1.096 . . . . 0.0 112.006 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 50.95 59.4 4.64 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.702 1.601 . . . . 0.0 111.642 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.4 ' CG2' ' HB2' ' A' ' 61' ' ' TRP . 18.0 mt -85.17 135.53 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.523 1.529 . . . . 0.0 109.481 -173.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -97.11 138.71 34.2 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -169.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.12 -11.1 36.27 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -102.03 -3.94 26.84 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.413 1.485 . . . . 0.0 112.759 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -126.22 -44.68 1.72 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.4 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 69.7 m95 -142.98 -28.56 0.56 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -168.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.3 p -113.79 166.4 11.6 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.29 1.036 . . . . 0.0 112.856 169.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -110.05 131.01 55.44 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.903 1.681 . . . . 0.0 112.225 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -85.45 -10.42 56.16 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.87 -157.86 17.72 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.481 1.038 . . . . 0.0 113.266 -170.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.17 1.06 29.69 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 t -160.74 145.36 10.57 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.784 1.234 . . . . 0.0 111.312 -171.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -66.19 155.83 67.84 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 123.374 2.716 . . . . 0.0 111.063 171.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 167.82 74.92 0.03 OUTLIER Glycine 0 N--CA 1.472 1.065 0 O-C-N 121.896 -0.502 . . . . 0.0 113.701 -172.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -154.57 176.95 11.75 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.16 2.184 . . . . 0.0 110.641 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.93 -21.1 60.68 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.692 1.197 . . . . 0.0 113.497 171.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.6 m -106.49 -2.46 21.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.01 1.324 . . . . 0.0 113.927 174.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.0 t30 52.2 53.72 11.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.047 1.739 . . . . 0.0 113.294 171.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.73 143.76 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.554 1.142 . . . . 0.0 111.604 -171.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -96.31 135.73 37.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.912 1.685 . . . . 0.0 111.097 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.1 m -49.2 -36.85 20.91 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.054 1.742 . . . . 0.0 113.944 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.1 t -69.54 -32.59 71.49 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -71.63 -10.06 59.19 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.625 -1.297 . . . . 0.0 112.719 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.75 -14.29 54.77 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.522 -0.736 . . . . 0.0 112.365 173.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.4 mt -95.55 9.89 38.56 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.614 1.566 . . . . 0.0 113.223 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 t -90.66 -171.16 2.95 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.707 1.603 . . . . 0.0 112.877 -169.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -90.55 4.43 51.22 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.45 1.9 . . . . 0.0 115.206 -172.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -135.2 124.6 24.82 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.896 1.678 . . . . 0.0 109.327 169.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.1 pt -70.04 -14.4 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.973 1.309 . . . . 0.0 113.118 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.8 t -54.46 -33.0 58.81 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.643 1.577 . . . . 0.0 114.073 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.95 -34.44 77.5 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.446 0.698 . . . . 0.0 112.218 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.99 -38.02 16.99 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.786 1.234 . . . . 0.0 111.556 174.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.41 -40.78 77.12 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.899 0.879 . . . . 0.0 113.239 -176.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -70.71 -31.52 68.42 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.564 -1.335 . . . . 0.0 112.458 174.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.5 t -65.55 -39.96 92.32 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.615 0.766 . . . . 0.0 110.782 169.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.7 83.4 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.269 1.028 . . . . 0.0 112.89 173.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -63.64 -41.04 98.28 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.489 1.495 . . . . 0.0 112.468 170.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -68.09 -22.91 64.89 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.595 0.758 . . . . 0.0 112.935 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 93.3 mt -76.74 -49.3 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.826 0.85 . . . . 0.0 109.798 168.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -28.18 62.29 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.045 1.338 . . . . 0.0 114.038 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -58.08 -24.32 58.12 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.031 2.133 . . . . 0.0 114.212 171.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -116.05 -33.92 4.89 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.014 1.726 . . . . 0.0 112.745 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -144.23 81.62 1.68 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.855 2.062 . . . . 0.0 110.16 -174.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.575 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -41.89 -45.57 3.75 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.03 1.732 . . . . 0.0 114.132 -170.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -142.61 -3.47 1.02 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.142 1.777 . . . . 0.0 112.758 171.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.95 -15.9 61.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.202 1.801 . . . . 0.0 113.752 -167.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.96 -8.85 58.68 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.995 1.318 . . . . 0.0 113.455 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 24.0 m-90 -119.81 117.77 29.04 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.913 1.285 . . . . 0.0 113.014 -173.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -58.37 -39.69 80.27 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.136 1.375 . . . . 0.0 112.028 169.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.01 -6.53 45.99 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.902 1.239 . . . . 0.0 114.547 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -92.73 -65.84 0.97 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.582 1.191 . . . . 0.0 109.26 167.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -58.4 -27.56 64.39 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -172.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -69.44 -20.45 63.77 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.99 -21.96 0.21 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 -174.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 86.9 m -68.87 -19.61 64.24 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.05 -17.58 60.46 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 173.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -92.42 -54.59 1.8 Allowed Glycine 0 C--N 1.342 0.891 0 C-N-CA 124.818 1.199 . . . . 0.0 111.895 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -153.0 140.8 20.06 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.427 1.091 . . . . 0.0 112.034 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 98.3 mt -115.21 149.74 43.19 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.269 1.428 . . . . 0.0 111.124 169.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.11 159.92 43.5 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.851 3.034 . . . . 0.0 111.286 176.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -79.32 149.23 31.82 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.903 0.858 . . . . 0.0 112.129 172.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.6 pt -132.1 -3.89 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.628 1.971 . . . . 0.0 113.285 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.6 m -69.94 -9.0 53.48 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.712 -1.242 . . . . 0.0 113.958 -175.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 p -85.01 -10.42 57.01 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.778 1.631 . . . . 0.0 113.806 169.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.1 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.958 1.703 . . . . 0.0 112.271 -175.137 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 N-CA-C 112.372 -0.291 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -159.87 162.8 34.69 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.514 1.926 . . . . 0.0 112.346 -173.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 m -111.06 132.19 54.45 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.533 1.133 . . . . 0.0 110.679 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -97.15 154.94 17.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.168 1.787 . . . . 0.0 110.628 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 t -92.39 161.78 14.52 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.558 1.143 . . . . 0.0 108.734 168.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.82 -47.23 80.77 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.405 1.002 . . . . 0.0 111.906 -174.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.08 -39.16 88.84 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.542 -0.724 . . . . 0.0 112.754 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.34 -44.44 93.46 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 123.849 0.737 . . . . 0.0 111.686 175.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.74 -49.31 73.54 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.076 1.35 . . . . 0.0 111.964 175.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.08 -46.01 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.901 0.88 . . . . 0.0 110.445 173.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -69.55 -43.26 73.3 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.11 0.964 . . . . 0.0 113.431 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.04 -39.3 94.33 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.332 1.053 . . . . 0.0 111.248 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.96 -38.39 64.23 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.701 0.8 . . . . 0.0 112.169 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -58.16 -39.7 79.53 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.845 -0.534 . . . . 0.0 111.929 172.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -66.64 -34.76 78.58 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.958 0.903 . . . . 0.0 112.503 172.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.05 5.65 48.04 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.119 1.368 . . . . 0.0 114.476 -174.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.82 34.69 7.16 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 124.412 1.006 . . . . 0.0 114.572 170.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -98.96 136.73 38.52 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.931 1.293 . . . . 0.0 109.299 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -77.11 139.44 39.97 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.31 0.644 . . . . 0.0 111.987 -172.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.38 -26.65 67.98 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -177.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -82.39 -16.87 47.53 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -97.67 -17.99 19.13 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.72 1.208 . . . . 0.0 112.325 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.2 tpp -49.21 -44.57 43.35 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.997 1.719 . . . . 0.0 113.244 -174.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -56.82 -46.27 81.75 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.247 1.019 . . . . 0.0 113.018 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -63.93 -44.59 92.41 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.212 0.605 . . . . 0.0 111.268 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -64.58 -49.51 70.89 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.437 0.695 . . . . 0.0 112.769 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -66.27 -34.33 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.358 0.981 . . . . 0.0 111.908 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -70.47 -43.64 69.38 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.76 0.709 . . . . 0.0 111.498 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -54.99 -53.01 61.16 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.95 1.3 . . . . 0.0 110.36 170.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.13 -40.4 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.559 0.744 . . . . 0.0 112.059 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.85 -40.36 97.22 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 175.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -83.36 -16.25 46.75 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -91.93 -57.1 2.84 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.31 1.044 . . . . 0.0 111.795 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 m -126.27 4.79 7.03 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -170.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 m 60.96 22.65 12.83 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.462 1.505 . . . . 0.0 114.025 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtm-85 68.1 25.37 7.46 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.71 1.604 . . . . 0.0 113.032 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -118.05 118.48 32.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.175 1.79 . . . . 0.0 111.166 -176.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -68.27 -25.38 65.13 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -75.13 -8.34 56.29 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -74.29 136.76 42.62 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 120.971 -1.08 . . . . 0.0 113.086 -172.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.5 p -139.59 155.19 47.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.865 2.066 . . . . 0.0 111.518 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -149.59 129.08 13.03 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.998 1.319 . . . . 0.0 111.62 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 m -89.2 144.17 26.3 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.977 1.311 . . . . 0.0 110.512 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -108.87 159.24 16.95 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.797 1.639 . . . . 0.0 111.931 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -62.27 -23.55 66.77 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.485 1.114 . . . . 0.0 113.371 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -77.75 -6.87 55.49 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.493 1.517 . . . . 0.0 113.998 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.3 -2.88 83.8 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.412 1.482 . . . . 0.0 114.546 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.3 p -83.75 162.84 20.53 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.939 1.296 . . . . 0.0 111.627 170.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -128.4 152.02 48.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.778 1.231 . . . . 0.0 110.933 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -100.65 143.16 31.14 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.76 2.024 . . . . 0.0 109.715 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -141.84 147.94 38.02 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.681 1.192 . . . . 0.0 112.992 -170.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.12 -176.9 49.14 Favored Glycine 0 CA--C 1.526 0.721 0 O-C-N 121.766 -0.584 . . . . 0.0 113.783 172.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -13.12 61.02 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 117.006 2.225 . . . . 0.0 117.006 -168.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -115.23 15.87 16.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.808 1.243 . . . . 0.0 111.551 176.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 44.5 57.13 4.6 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.132 1.773 . . . . 0.0 111.942 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.6 mt -83.1 130.95 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.415 1.086 . . . . 0.0 109.94 -171.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -93.29 138.3 31.79 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -170.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.39 -11.7 52.92 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -82.89 -18.48 40.09 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.023 0.929 . . . . 0.0 112.798 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -130.61 -59.63 1.01 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -167.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -102.16 -50.82 3.53 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -166.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.12 162.92 12.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.174 1.39 . . . . 0.0 112.439 170.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.4 t -108.74 134.94 50.78 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.61 1.964 . . . . 0.0 112.184 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -86.31 -10.91 53.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.14 -158.94 14.17 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 124.426 1.012 . . . . 0.0 114.14 -169.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.04 0.4 36.0 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.7 t -158.25 145.9 13.59 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.949 1.3 . . . . 0.0 111.209 -174.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -63.72 143.63 87.15 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.125 2.55 . . . . 0.0 110.197 169.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.98 34.7 0.03 OUTLIER Glycine 0 N--CA 1.475 1.262 0 N-CA-C 116.008 1.163 . . . . 0.0 116.008 -169.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -121.47 -173.56 2.66 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.038 1.735 . . . . 0.0 110.223 175.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.24 -28.64 63.1 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -168.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.57 7.65 35.19 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.5 t30 56.46 47.97 17.74 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.711 1.604 . . . . 0.0 112.648 170.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.7 p -150.9 143.63 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.563 1.545 . . . . 0.0 110.027 -170.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -96.25 137.27 35.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.852 1.261 . . . . 0.0 111.376 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.5 m -48.84 -36.6 17.26 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.266 1.826 . . . . 0.0 114.385 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -70.79 -31.65 68.49 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -70.39 -15.81 62.89 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.73 -1.232 . . . . 0.0 112.713 175.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.21 -13.57 59.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.103 0.961 . . . . 0.0 112.338 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 mt -94.9 10.67 34.53 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.678 1.591 . . . . 0.0 112.89 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p -87.87 -171.13 3.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.149 1.38 . . . . 0.0 112.555 -173.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -90.7 1.35 56.92 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.737 2.015 . . . . 0.0 115.092 -173.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -132.54 122.68 25.19 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.086 1.354 . . . . 0.0 109.407 169.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.6 pt -66.35 -13.5 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.915 1.686 . . . . 0.0 113.38 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.8 t -53.07 -34.13 55.12 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.94 1.696 . . . . 0.0 114.486 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -63.83 -34.17 77.32 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.658 -0.651 . . . . 0.0 111.925 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.78 -40.01 15.39 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.092 1.357 . . . . 0.0 111.335 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.76 88.93 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.16 0.984 . . . . 0.0 112.963 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.39 -33.41 74.2 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.033 -1.042 . . . . 0.0 112.616 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 36.7 t -66.2 -40.33 90.3 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.964 0.906 . . . . 0.0 110.967 171.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.1 82.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.562 1.145 . . . . 0.0 113.088 173.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -60.42 -42.5 96.14 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.444 1.475 . . . . 0.0 112.415 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -68.08 -20.61 64.96 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 87.1 mt -81.08 -43.78 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.372 -0.83 . . . . 0.0 111.056 169.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -30.05 67.98 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.235 -0.916 . . . . 0.0 112.701 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -57.77 -20.28 33.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.559 1.543 . . . . 0.0 114.954 169.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -114.74 -32.7 5.74 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.503 1.521 . . . . 0.0 112.879 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -134.63 -3.97 2.59 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -169.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . 0.318 0.0 OUTLIER 43.82 -56.18 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 131.234 3.814 . . . . 0.0 117.407 -168.074 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -142.73 -9.22 0.82 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.459 1.903 . . . . 0.0 113.501 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.98 -12.65 60.0 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.063 1.345 . . . . 0.0 114.05 -171.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.35 -6.86 46.32 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.237 1.015 . . . . 0.0 113.469 173.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -123.47 142.67 50.77 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.856 1.663 . . . . 0.0 111.647 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -85.38 -39.02 18.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -170.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.52 -29.39 75.02 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.034 0.826 . . . . 0.0 113.109 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -62.96 -40.35 97.41 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 117.979 0.89 . . . . 0.0 113.041 175.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -94.95 -15.17 23.8 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -98.23 -22.1 16.33 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.6 1.16 . . . . 0.0 113.98 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -133.03 -47.17 0.85 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.6 m -70.3 -8.1 47.67 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 -170.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -74.6 -20.97 59.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.869 0.867 . . . . 0.0 112.913 174.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.73 -35.55 28.14 Favored Glycine 0 C--N 1.344 1.023 0 CA-C-N 118.762 0.71 . . . . 0.0 113.314 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -174.12 148.4 1.34 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.628 2.371 . . . . 0.0 110.391 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.4 mt -110.67 148.28 38.19 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.057 1.343 . . . . 0.0 110.71 170.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -71.91 150.5 55.31 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.393 2.729 . . . . 0.0 110.749 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -77.34 147.64 36.04 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 122.247 1.023 . . . . 0.0 111.457 170.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.3 pt -131.81 0.7 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.907 2.083 . . . . 0.0 112.626 -178.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 m -63.67 -13.02 38.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -173.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.3 p -89.06 -10.37 47.69 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.923 1.689 . . . . 0.0 114.13 172.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.9 m . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.077 1.751 . . . . 0.0 112.24 -176.279 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.54 165.76 31.25 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.752 2.021 . . . . 0.0 113.117 -178.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 m -99.98 148.71 24.21 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.987 1.715 . . . . 0.0 109.722 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -114.19 154.1 28.45 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.434 1.894 . . . . 0.0 110.095 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 t -94.44 161.77 14.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.822 1.249 . . . . 0.0 108.988 169.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -56.52 -47.53 79.16 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.28 0.945 . . . . 0.0 111.766 -175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -60.28 -37.72 81.38 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.81 -45.95 62.54 Favored Glycine 0 C--N 1.339 0.718 0 C-N-CA 124.141 0.877 . . . . 0.0 111.601 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.12 -49.75 74.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.149 1.38 . . . . 0.0 111.792 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -50.3 -45.87 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.886 0.874 . . . . 0.0 110.568 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -68.89 -43.41 75.33 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -61.94 -42.5 99.18 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.414 1.086 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.68 -40.46 69.58 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.984 0.914 . . . . 0.0 112.199 177.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -56.44 -40.48 74.86 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.321 0.509 . . . . 0.0 111.81 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.71 -28.7 63.87 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.099 0.96 . . . . 0.0 113.141 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.25 4.87 51.22 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.292 1.437 . . . . 0.0 114.317 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.83 32.27 8.11 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 124.564 1.078 . . . . 0.0 114.675 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -96.88 136.86 36.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.716 1.206 . . . . 0.0 109.458 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -72.18 134.14 45.52 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.621 0.768 . . . . 0.0 111.639 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.23 -24.98 65.28 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -78.85 -21.31 47.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.285 1.434 . . . . 0.0 112.504 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.6 mt -99.55 -13.24 19.53 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.992 1.317 . . . . 0.0 112.809 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.2 tpp -51.11 -43.75 61.16 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.4 1.48 . . . . 0.0 112.916 -174.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -54.44 -49.41 70.08 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.093 0.957 . . . . 0.0 112.375 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -61.9 -46.74 88.07 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.714 0.805 . . . . 0.0 110.669 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -63.26 -49.62 73.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.794 0.838 . . . . 0.0 112.368 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 m -67.13 -35.52 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.215 0.916 . . . . 0.0 111.839 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.13 -32.87 67.33 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.957 0.799 . . . . 0.0 112.804 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.31 -55.25 22.59 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.931 1.692 . . . . 0.0 109.496 169.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.9 t -59.77 -39.15 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.05 0.94 . . . . 0.0 112.055 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.92 -19.24 64.96 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -95.64 -36.45 11.22 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.639 1.109 . . . . 0.0 112.368 172.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -74.22 -57.39 3.99 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.174 0.59 . . . . 0.0 111.314 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -112.8 -8.85 13.72 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.14 -0.975 . . . . 0.0 113.381 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m 63.52 24.85 14.22 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.81 1.244 . . . . 0.0 112.786 -169.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 71.27 28.74 2.94 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.626 1.57 . . . . 0.0 112.538 -174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -118.55 115.07 23.82 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.9 1.28 . . . . 0.0 112.216 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.1 p -64.91 -25.69 67.99 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.8 m -79.5 -5.68 55.34 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -74.44 140.41 44.63 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.875 -1.141 . . . . 0.0 113.034 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.5 p -137.75 156.15 48.28 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.005 1.722 . . . . 0.0 111.988 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -148.0 131.96 17.18 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.011 1.324 . . . . 0.0 111.413 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 m -88.18 144.23 26.58 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.717 1.207 . . . . 0.0 110.054 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -103.46 157.3 17.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.449 1.499 . . . . 0.0 111.81 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -63.45 -22.37 66.85 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.267 1.027 . . . . 0.0 113.13 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -81.8 -0.62 44.13 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.651 1.58 . . . . 0.0 113.666 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.33 -2.11 84.82 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.567 1.556 . . . . 0.0 115.325 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.5 p -86.99 164.65 16.38 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.293 1.437 . . . . 0.0 111.71 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -127.62 150.93 49.51 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.86 -1.15 . . . . 0.0 111.361 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -104.45 143.41 33.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.782 2.033 . . . . 0.0 110.164 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -141.22 150.09 42.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.036 1.334 . . . . 0.0 113.2 -170.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.52 -176.25 50.61 Favored Glycine 0 N--CA 1.468 0.803 0 CA-C-O 121.89 0.716 . . . . 0.0 113.987 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 tp -65.18 -23.1 67.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 -168.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -105.57 9.46 33.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.338 1.055 . . . . 0.0 111.774 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 50.84 57.04 7.08 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.542 1.537 . . . . 0.0 111.504 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.1 mt -84.21 136.08 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 125.276 1.43 . . . . 0.0 109.748 -172.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -94.46 138.78 31.97 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -169.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -67.89 -10.92 57.17 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -102.58 -15.79 16.29 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.692 1.197 . . . . 0.0 112.325 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -118.14 -28.21 5.89 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -168.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -147.33 -51.11 0.19 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -168.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -98.55 168.85 9.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.85 1.26 . . . . 0.0 112.186 169.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -115.46 135.63 53.91 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.971 1.708 . . . . 0.0 112.355 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -77.08 -13.93 59.88 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.7 -167.31 26.09 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.016 0.817 . . . . 0.0 113.256 -171.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.17 -8.66 59.53 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.2 m -139.29 150.77 65.49 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 126.343 1.857 . . . . 0.0 110.692 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.25 154.83 71.32 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.225 2.617 . . . . 0.0 110.58 173.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.5 54.15 0.01 OUTLIER Glycine 0 N--CA 1.472 1.062 0 N-CA-C 114.249 0.46 . . . . 0.0 114.249 -173.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -143.89 -175.29 4.53 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.902 2.081 . . . . 0.0 110.276 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.67 -23.99 45.58 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -169.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 72.1 m -113.64 10.45 18.0 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.832 1.253 . . . . 0.0 114.316 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.7 t30 56.48 47.63 18.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.922 1.689 . . . . 0.0 112.586 171.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.1 p -152.72 148.49 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.302 1.441 . . . . 0.0 110.27 -170.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -103.2 135.36 44.99 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.599 1.56 . . . . 0.0 111.105 -173.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.1 m -50.24 -37.4 35.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.204 1.402 . . . . 0.0 114.152 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -76.06 -26.65 56.75 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -22.19 63.69 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.812 -1.18 . . . . 0.0 112.174 173.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.66 -13.75 61.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.679 0.792 . . . . 0.0 112.67 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.2 mt -94.21 1.85 55.98 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.41 1.484 . . . . 0.0 112.79 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.0 p -79.34 170.07 17.15 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.782 1.233 . . . . 0.0 111.615 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -78.52 6.47 8.53 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -169.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -127.8 123.29 34.85 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.313 1.445 . . . . 0.0 109.207 169.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.5 pt -66.02 -14.1 16.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.405 1.482 . . . . 0.0 113.327 -176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.1 t -54.57 -33.26 59.91 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.59 1.556 . . . . 0.0 114.538 -169.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -36.16 82.77 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.567 -0.708 . . . . 0.0 111.501 176.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.13 -40.42 18.25 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.538 1.135 . . . . 0.0 111.264 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.53 93.72 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.048 0.939 . . . . 0.0 112.974 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -65.45 -35.14 80.03 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.94 -1.1 . . . . 0.0 112.653 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 36.1 t -67.44 -39.72 85.4 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.602 0.761 . . . . 0.0 111.22 172.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.41 88.88 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.195 0.998 . . . . 0.0 112.587 172.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -61.28 -42.25 98.33 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 120.234 1.379 . . . . 0.0 112.55 170.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.74 -26.36 66.95 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.2 mt -74.93 -44.89 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.41 -0.806 . . . . 0.0 110.644 169.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -24.59 57.75 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.077 1.351 . . . . 0.0 114.081 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -58.03 -19.14 29.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.628 1.571 . . . . 0.0 114.942 169.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -127.53 -32.06 2.44 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.288 1.435 . . . . 0.0 112.789 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -140.39 85.52 2.01 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.663 1.585 . . . . 0.0 110.538 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -54.24 -38.57 65.91 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -170.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -142.78 -15.84 0.71 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.106 1.362 . . . . 0.0 113.532 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.58 -14.83 62.2 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.667 1.187 . . . . 0.0 114.137 -172.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.85 -7.29 47.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.381 1.072 . . . . 0.0 113.67 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.6 m-90 -125.89 127.93 46.8 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 125.42 1.488 . . . . 0.0 111.582 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.97 -33.22 67.98 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -171.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.32 -38.95 95.44 Favored Glycine 0 C--N 1.339 0.724 0 C-N-CA 124.032 0.825 . . . . 0.0 113.16 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -64.39 -41.51 96.63 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -83.67 -9.95 58.51 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -95.42 -34.7 12.01 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.153 1.381 . . . . 0.0 113.984 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.91 -32.14 0.81 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.689 1.737 . . . . 0.0 115.689 -173.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 59.6 m -70.78 -9.89 58.35 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 120.815 -1.178 . . . . 0.0 114.062 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -72.74 -23.01 60.78 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.224 1.009 . . . . 0.0 112.538 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -88.67 -49.53 3.6 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 124.305 0.955 . . . . 0.0 112.81 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.0 m -153.54 145.35 23.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.045 1.338 . . . . 0.0 111.699 -174.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.2 mt -119.53 150.01 49.06 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 125.599 1.56 . . . . 0.0 110.976 171.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -74.2 157.69 45.9 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.798 2.999 . . . . 0.0 110.939 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -79.03 148.77 32.38 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 122.166 0.984 . . . . 0.0 111.734 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.0 pt -128.01 -1.5 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.908 2.083 . . . . 0.0 112.679 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.0 m -66.5 -14.27 62.04 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.46 1.104 . . . . 0.0 113.937 -174.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.3 p -88.12 -10.31 50.45 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.949 1.699 . . . . 0.0 113.996 173.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.797 1.639 . . . . 0.0 112.133 -176.426 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.056 0 N-CA-C 111.921 -0.472 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -157.03 163.7 38.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.769 1.628 . . . . 0.0 112.672 -172.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 m -106.49 135.58 47.74 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.799 1.239 . . . . 0.0 110.654 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -103.26 155.82 18.17 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.282 1.833 . . . . 0.0 110.677 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 p -82.47 169.05 16.82 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.508 1.123 . . . . 0.0 108.504 166.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -60.99 -37.92 84.17 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.86 -0.525 . . . . 0.0 109.6 167.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.4 m -64.86 -40.95 95.94 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.17 -44.88 58.66 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 124.331 0.967 . . . . 0.0 111.429 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.42 -47.8 77.75 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.427 1.114 . . . . 0.0 112.254 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.37 -41.71 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 119.29 0.95 . . . . 0.0 110.892 175.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -73.66 -42.03 61.91 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.231 1.012 . . . . 0.0 113.161 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.22 -39.25 93.59 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.248 1.019 . . . . 0.0 111.051 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -73.88 -38.45 64.4 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.449 -0.782 . . . . 0.0 111.99 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -56.08 -43.01 77.61 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.091 0.557 . . . . 0.0 111.93 170.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -65.61 -36.99 85.32 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.987 0.915 . . . . 0.0 112.34 173.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -86.23 -2.47 58.41 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.15 24.01 8.22 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.763 1.173 . . . . 0.0 115.172 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 14.5 m-85 -88.4 136.4 33.0 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.552 1.141 . . . . 0.0 109.936 175.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -69.81 131.83 45.11 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.424 0.69 . . . . 0.0 110.931 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -66.79 -19.38 65.73 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -176.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -76.09 -23.9 54.98 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 171.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.2 mt -90.83 -16.63 27.96 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.542 1.137 . . . . 0.0 112.332 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.4 tpp -50.18 -44.56 52.9 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.669 1.588 . . . . 0.0 113.435 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -55.4 -42.52 74.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.085 0.954 . . . . 0.0 113.015 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -67.98 -47.24 69.11 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.357 0.663 . . . . 0.0 111.164 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -62.14 -48.68 79.05 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.577 0.751 . . . . 0.0 112.51 -178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 m -66.5 -35.78 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 119.186 0.903 . . . . 0.0 111.853 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -71.2 -38.45 72.06 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.077 0.853 . . . . 0.0 112.188 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.32 -55.5 33.94 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.581 1.552 . . . . 0.0 109.844 169.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.9 t -60.1 -39.92 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.968 0.907 . . . . 0.0 112.173 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -63.69 -26.59 68.73 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 176.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -86.37 -39.06 16.79 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.585 1.084 . . . . 0.0 112.266 172.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.1 -55.78 5.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.034 0.534 . . . . 0.0 111.345 -172.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.9 p -112.57 -11.25 13.61 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m 68.03 24.15 7.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.574 1.55 . . . . 0.0 112.762 -169.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 69.68 27.81 4.61 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.171 1.388 . . . . 0.0 112.481 -175.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -119.0 118.42 31.45 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.254 1.422 . . . . 0.0 111.406 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.6 p -68.16 -25.61 65.34 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 119.078 -0.487 . . . . 0.0 112.082 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.8 m -77.67 -4.53 46.58 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -73.51 144.37 46.18 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.913 -1.117 . . . . 0.0 112.882 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 p -146.15 152.43 39.25 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.548 1.939 . . . . 0.0 111.382 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -149.51 124.23 9.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.445 1.498 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 m -92.97 142.73 26.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.942 1.297 . . . . 0.0 110.537 -176.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -106.16 159.63 15.94 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.573 1.549 . . . . 0.0 112.254 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -63.65 -23.36 67.34 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.57 1.148 . . . . 0.0 113.316 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -71.28 -15.59 62.43 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.591 1.556 . . . . 0.0 113.764 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.24 -4.94 74.63 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.549 1.547 . . . . 0.0 114.077 -176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.9 p -80.38 162.43 24.49 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.981 1.313 . . . . 0.0 111.762 170.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -128.74 150.18 50.39 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.686 1.194 . . . . 0.0 111.221 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -101.72 139.88 36.77 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 126.317 1.847 . . . . 0.0 109.462 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -138.79 148.99 44.48 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.573 1.149 . . . . 0.0 113.046 -169.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.53 -175.35 53.23 Favored Glycine 0 N--CA 1.467 0.715 0 O-C-N 121.51 -0.743 . . . . 0.0 114.282 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.97 -21.7 66.88 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -168.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -108.49 9.96 27.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.492 1.117 . . . . 0.0 111.673 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 50.31 57.46 6.56 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.821 1.648 . . . . 0.0 111.508 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.425 HD13 ' SG ' ' A' ' 90' ' ' CYS . 15.9 mt -84.5 133.35 29.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.301 1.44 . . . . 0.0 109.747 -171.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -93.59 137.92 32.37 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -170.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -66.37 -11.56 52.02 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -83.54 -18.01 39.84 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.003 0.921 . . . . 0.0 112.758 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -130.77 -59.1 1.01 Allowed 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -167.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -102.8 -50.79 3.44 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -166.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -102.12 162.97 12.5 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.363 1.465 . . . . 0.0 111.865 169.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.6 t -111.05 135.74 51.11 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.878 1.671 . . . . 0.0 112.447 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -78.85 -13.73 59.64 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.57 -167.16 25.31 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.045 0.831 . . . . 0.0 112.971 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.23 -7.92 57.71 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.8 m -139.5 150.77 64.86 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 126.058 1.743 . . . . 0.0 111.068 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -68.92 157.01 63.57 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.452 2.768 . . . . 0.0 110.725 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.57 40.82 0.02 OUTLIER Glycine 0 N--CA 1.476 1.342 0 N-CA-C 116.181 1.232 . . . . 0.0 116.181 -176.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -128.32 -173.25 2.9 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.309 1.844 . . . . 0.0 110.425 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -57.27 -26.78 61.36 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -169.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 62.9 m -105.9 7.29 32.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.589 1.156 . . . . 0.0 113.919 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.4 t30 56.49 48.32 16.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.939 1.695 . . . . 0.0 112.56 172.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -150.89 153.59 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 125.325 1.45 . . . . 0.0 110.664 -171.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -105.93 136.27 45.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.259 1.823 . . . . 0.0 111.174 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.6 m -51.55 -36.51 45.4 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.255 1.422 . . . . 0.0 113.91 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -72.23 -29.98 64.47 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -14.44 62.46 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.736 -1.228 . . . . 0.0 112.162 171.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.45 -14.59 58.16 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.028 0.831 . . . . 0.0 112.446 172.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.1 mt -94.62 6.76 47.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.526 1.53 . . . . 0.0 113.04 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -79.97 -179.61 7.08 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.466 1.507 . . . . 0.0 111.991 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -91.67 9.16 33.55 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.358 1.463 . . . . 0.0 113.819 -170.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -132.92 126.36 31.94 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.031 1.732 . . . . 0.0 108.031 168.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.9 pt -67.79 -14.14 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.491 1.116 . . . . 0.0 113.179 -174.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.5 t -53.08 -37.55 61.77 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.624 1.569 . . . . 0.0 114.265 -169.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -61.7 -32.51 72.72 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.385 -0.822 . . . . 0.0 112.196 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.59 -39.04 15.43 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.826 1.25 . . . . 0.0 111.729 174.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.65 -39.77 80.54 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.452 1.101 . . . . 0.0 113.4 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -69.65 -33.27 72.38 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.912 -1.117 . . . . 0.0 112.322 173.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.425 ' SG ' HD13 ' A' ' 56' ' ' ILE . 37.7 t -68.68 -35.32 77.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.263 1.025 . . . . 0.0 111.485 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.97 91.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.128 0.971 . . . . 0.0 112.394 171.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.405 ' HD3' ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -61.16 -42.31 98.32 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.955 1.252 . . . . 0.0 112.549 170.718 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -65.81 -24.96 67.02 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.019 0.928 . . . . 0.0 112.997 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 84.9 mt -77.12 -46.44 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.964 0.906 . . . . 0.0 110.462 168.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.82 -25.82 56.75 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.519 1.528 . . . . 0.0 113.918 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -55.41 -27.18 46.08 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.411 1.484 . . . . 0.0 114.416 169.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -115.59 -34.89 4.72 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.544 1.538 . . . . 0.0 112.307 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -143.62 88.26 1.98 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.573 1.549 . . . . 0.0 110.751 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -54.35 -38.55 66.2 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -170.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -142.21 -10.32 0.86 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.248 1.419 . . . . 0.0 113.328 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -76.18 -12.61 60.13 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -171.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.88 -5.21 39.71 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.139 0.976 . . . . 0.0 113.631 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -125.93 143.99 50.86 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.679 1.592 . . . . 0.0 111.77 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -86.87 -37.32 17.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -169.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.02 -34.2 88.16 Favored Glycine 0 N--CA 1.471 0.978 0 C-N-CA 123.695 0.664 . . . . 0.0 113.328 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -61.7 -41.27 97.38 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -94.93 -17.57 21.87 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.34 -20.96 19.29 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -138.94 -44.2 0.47 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 m -70.78 -7.0 41.88 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -172.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -72.69 -22.88 60.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.029 0.932 . . . . 0.0 112.958 173.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.7 -35.26 25.8 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 118.724 0.693 . . . . 0.0 113.551 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -173.19 145.73 1.36 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 127.36 2.264 . . . . 0.0 110.369 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.7 mt -111.04 148.86 39.54 Favored Pre-proline 0 CA--C 1.543 0.709 0 C-N-CA 124.979 1.311 . . . . 0.0 111.163 172.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -70.64 153.43 64.89 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 123.773 2.982 . . . . 0.0 111.04 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -77.57 148.09 35.36 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 122.275 1.036 . . . . 0.0 111.647 170.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.9 pt -129.94 -0.09 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.997 2.119 . . . . 0.0 112.636 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.8 m -62.96 -17.02 61.47 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -173.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 m -83.46 -6.32 59.42 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.051 1.341 . . . . 0.0 113.849 173.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.858 1.663 . . . . 0.0 112.061 -175.28 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.171 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -155.92 162.37 40.4 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.613 1.565 . . . . 0.0 112.718 -171.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -109.45 136.59 48.61 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.11 1.364 . . . . 0.0 110.334 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -104.42 155.05 19.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.089 1.755 . . . . 0.0 110.709 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.0 t -93.88 162.43 13.91 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.866 1.266 . . . . 0.0 108.683 168.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.3 -47.73 78.07 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.456 1.025 . . . . 0.0 111.787 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.4 m -59.86 -38.87 83.37 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.64 -0.662 . . . . 0.0 112.768 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.83 -45.54 73.86 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 124.057 0.836 . . . . 0.0 111.691 176.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.01 -50.03 73.69 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.054 1.341 . . . . 0.0 111.797 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.24 -45.3 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.744 0.818 . . . . 0.0 110.606 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -68.79 -43.68 75.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.985 0.914 . . . . 0.0 113.46 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.36 -38.14 88.38 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.05 1.34 . . . . 0.0 111.274 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.49 -41.08 48.31 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.008 0.923 . . . . 0.0 112.284 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -55.9 -40.58 73.24 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 118.451 0.569 . . . . 0.0 111.492 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -66.37 -41.65 89.13 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.516 1.926 . . . . 0.0 112.254 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -82.26 -5.18 58.36 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.33 39.83 2.73 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 124.751 1.167 . . . . 0.0 114.459 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -105.04 138.48 41.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.374 1.47 . . . . 0.0 109.332 174.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.38 141.57 38.27 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.201 0.6 . . . . 0.0 112.082 -172.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -38.83 63.0 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.817 1.247 . . . . 0.0 113.925 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.39 -14.81 60.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.1 mt -100.99 -20.33 15.46 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.02 1.328 . . . . 0.0 112.079 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.5 tpp -49.78 -44.97 49.24 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.04 1.736 . . . . 0.0 113.011 -174.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -55.18 -48.57 73.61 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.021 0.929 . . . . 0.0 112.428 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -65.06 -44.13 89.98 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.556 0.742 . . . . 0.0 111.481 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -62.71 -48.94 77.05 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.256 0.622 . . . . 0.0 112.494 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 m -67.81 -35.07 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 119.221 0.919 . . . . 0.0 111.924 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -71.79 -32.18 67.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.715 0.689 . . . . 0.0 112.664 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.91 -54.34 27.77 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.091 1.756 . . . . 0.0 109.927 169.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.03 -40.48 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.026 0.93 . . . . 0.0 111.891 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.93 -31.74 72.08 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -85.6 -29.31 24.2 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 177.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -81.62 -59.12 2.72 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.945 0.898 . . . . 0.0 111.624 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -113.21 -10.24 13.39 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -174.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m 67.55 23.64 8.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.429 1.492 . . . . 0.0 112.816 -169.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 mtm-85 70.38 29.17 3.6 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.251 1.42 . . . . 0.0 112.192 -175.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -121.77 117.52 26.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.09 1.356 . . . . 0.0 111.391 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.5 p -67.75 -27.14 66.53 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 122.247 -0.283 . . . . 0.0 111.637 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 m -74.86 -5.47 43.8 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -74.71 145.22 43.27 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.897 -1.127 . . . . 0.0 112.851 -174.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.0 p -145.3 156.66 43.94 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.097 1.759 . . . . 0.0 111.823 175.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -147.5 131.69 17.4 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.022 1.329 . . . . 0.0 111.373 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.3 m -89.91 144.21 26.13 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.95 1.3 . . . . 0.0 110.132 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -106.46 158.36 16.96 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.14 1.376 . . . . 0.0 111.576 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -61.6 -24.02 66.4 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.383 1.073 . . . . 0.0 113.259 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -69.5 -18.75 63.72 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.742 1.617 . . . . 0.0 114.091 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.31 -4.16 70.01 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.336 1.446 . . . . 0.0 114.247 -175.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.2 p -82.9 159.2 22.38 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.927 1.291 . . . . 0.0 111.176 169.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -127.37 153.03 46.73 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.618 1.167 . . . . 0.0 111.18 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -103.55 143.33 32.88 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.596 1.958 . . . . 0.0 110.011 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -140.9 147.23 38.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.638 1.175 . . . . 0.0 113.422 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.26 -175.82 53.82 Favored Glycine 0 N--CA 1.467 0.727 0 CA-C-O 121.92 0.734 . . . . 0.0 114.292 170.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -21.59 66.8 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -168.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -107.85 9.06 28.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.584 1.153 . . . . 0.0 111.771 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 50.14 57.89 6.07 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.839 1.656 . . . . 0.0 111.574 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.6 mt -84.13 134.2 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.222 1.409 . . . . 0.0 109.457 -172.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -93.98 139.61 30.72 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -170.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.53 -9.63 27.87 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 116.491 2.034 . . . . 0.0 116.491 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -89.11 -15.79 33.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.959 1.304 . . . . 0.0 113.666 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -135.36 -47.78 0.7 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -167.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -117.71 -41.39 2.93 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -167.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -111.63 165.19 12.24 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.614 1.166 . . . . 0.0 112.052 168.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -118.36 136.98 53.42 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.752 1.221 . . . . 0.0 112.372 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -85.83 -11.32 53.7 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.82 -170.49 29.29 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.01 0.815 . . . . 0.0 112.371 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.39 4.26 18.58 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 -177.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -148.75 143.56 17.33 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.579 1.552 . . . . 0.0 110.562 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.16 159.93 51.0 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.546 2.831 . . . . 0.0 111.603 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.05 72.65 0.03 OUTLIER Glycine 0 N--CA 1.472 1.087 0 O-C-N 121.888 -0.507 . . . . 0.0 114.283 -175.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -154.49 -176.78 6.06 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.356 2.263 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.96 -27.16 60.99 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.625 1.57 . . . . 0.0 114.075 175.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 55.8 m -105.67 0.26 26.19 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.653 1.181 . . . . 0.0 114.039 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 55.94 50.38 14.02 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.609 1.563 . . . . 0.0 112.898 170.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.2 p -149.6 151.34 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.717 1.207 . . . . 0.0 111.469 -171.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -104.26 135.83 44.98 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.537 1.935 . . . . 0.0 111.147 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.3 m -51.87 -37.46 52.25 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.524 1.529 . . . . 0.0 113.813 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -73.69 -28.31 61.68 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -10.86 60.38 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.807 -1.183 . . . . 0.0 112.478 171.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.8 mt -84.18 -14.6 49.69 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.678 0.672 . . . . 0.0 112.272 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.2 mt -93.81 8.09 42.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.588 1.555 . . . . 0.0 112.903 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.4 t -84.08 -175.48 5.82 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.677 1.591 . . . . 0.0 112.181 -175.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -93.83 11.48 29.19 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.681 1.592 . . . . 0.0 113.921 -169.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -139.13 127.05 22.21 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.061 1.744 . . . . 0.0 108.431 168.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.7 pt -71.11 -12.82 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.5 1.12 . . . . 0.0 113.174 -173.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.1 t -56.92 -33.93 67.45 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -169.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -32.85 73.49 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.125 -0.985 . . . . 0.0 112.044 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.26 -39.94 16.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.342 1.057 . . . . 0.0 111.618 174.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.45 -41.6 84.46 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.855 0.862 . . . . 0.0 113.266 -176.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -68.04 -32.92 73.61 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.721 -1.237 . . . . 0.0 112.411 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.0 t -67.97 -37.48 81.59 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.816 0.846 . . . . 0.0 111.222 171.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.74 91.95 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.162 0.985 . . . . 0.0 112.583 171.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.19 -42.27 98.28 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 120.359 1.436 . . . . 0.0 112.328 170.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -66.02 -22.26 66.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.8 mt -80.85 -45.53 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.044 0.937 . . . . 0.0 110.753 168.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -28.15 55.96 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.216 1.406 . . . . 0.0 113.598 177.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.77 -20.5 35.63 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.055 1.742 . . . . 0.0 114.801 169.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -116.01 -38.39 3.65 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.831 1.653 . . . . 0.0 112.082 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -145.3 95.87 2.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.608 1.563 . . . . 0.0 110.809 -176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -54.33 -39.18 66.81 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -170.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -142.56 -17.14 0.71 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.146 1.378 . . . . 0.0 113.457 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -72.26 -14.32 61.74 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -172.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.27 -9.37 55.76 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.271 1.028 . . . . 0.0 113.592 172.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 -121.05 124.57 45.14 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 125.391 1.476 . . . . 0.0 111.749 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -71.05 -32.15 68.78 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -173.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.48 -37.44 94.45 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 123.78 0.705 . . . . 0.0 112.716 -178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -64.2 -44.79 90.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 117.767 0.783 . . . . 0.0 112.613 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -78.07 -10.19 59.5 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -90.25 -34.66 15.68 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.948 1.299 . . . . 0.0 113.602 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.16 -24.49 0.99 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -170.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 84.1 m -76.49 -7.02 54.27 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 120.051 1.296 . . . . 0.0 113.844 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -77.67 -21.56 51.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.35 1.06 . . . . 0.0 112.836 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -88.33 -39.28 6.87 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 124.026 0.822 . . . . 0.0 113.62 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.6 t -170.32 153.9 4.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.656 1.582 . . . . 0.0 111.264 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.5 mt -121.26 150.14 53.38 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.798 1.639 . . . . 0.0 111.766 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -71.41 156.72 58.04 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.853 3.036 . . . . 0.0 111.214 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -78.31 152.05 32.64 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 122.217 1.008 . . . . 0.0 112.175 173.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.8 pt -131.56 -3.36 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 127.001 2.12 . . . . 0.0 113.056 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.0 t -67.6 -18.81 65.12 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.101 -0.999 . . . . 0.0 112.737 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.8 p -80.56 -10.69 59.73 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.772 1.629 . . . . 0.0 114.219 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.696 1.598 . . . . 0.0 112.119 -176.353 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 N-CA-C 112.231 -0.347 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -159.2 165.57 33.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.518 1.927 . . . . 0.0 112.412 -175.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 m -110.82 131.46 55.03 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.638 1.175 . . . . 0.0 110.485 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -96.39 156.85 16.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.094 1.757 . . . . 0.0 110.744 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -95.68 160.8 14.31 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.836 1.255 . . . . 0.0 108.491 168.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.01 -45.92 78.93 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.476 1.035 . . . . 0.0 111.73 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.6 m -61.34 -33.68 74.02 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.91 -46.38 29.46 Favored Glycine 0 C--N 1.339 0.742 0 C-N-CA 124.279 0.942 . . . . 0.0 111.435 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.02 -48.83 78.52 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.131 1.373 . . . . 0.0 112.068 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.9 t -50.52 -45.34 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.008 0.822 . . . . 0.0 110.525 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -69.84 -41.52 74.79 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.123 0.969 . . . . 0.0 113.311 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.01 -41.45 99.56 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.384 1.074 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.81 -37.93 67.35 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.026 0.93 . . . . 0.0 112.224 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -58.54 -40.97 84.45 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.922 0.489 . . . . 0.0 111.91 172.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.57 -33.82 75.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.671 0.788 . . . . 0.0 112.565 172.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -88.97 5.53 43.77 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.962 1.305 . . . . 0.0 114.509 -175.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.36 23.55 21.51 Favored Glycine 0 N--CA 1.473 1.135 0 C-N-CA 124.63 1.11 . . . . 0.0 115.377 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.443 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 6.8 m-85 -88.08 140.85 29.07 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.536 1.168 . . . . 0.0 109.954 174.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -77.97 138.02 38.62 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.493 0.717 . . . . 0.0 111.967 -174.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.59 -26.06 67.73 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 114.15 1.166 . . . . 0.0 114.15 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -83.13 -17.48 42.86 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.4 mt -96.21 -19.38 19.37 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.537 1.135 . . . . 0.0 112.249 173.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.7 tpp -46.55 -45.02 18.41 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.497 1.919 . . . . 0.0 113.3 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -55.77 -48.34 75.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.479 1.112 . . . . 0.0 112.94 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -64.1 -43.09 96.41 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.173 0.589 . . . . 0.0 111.41 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -64.1 -49.51 71.97 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.298 0.639 . . . . 0.0 112.687 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 m -66.67 -33.91 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 119.062 0.846 . . . . 0.0 111.701 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -73.28 -33.36 65.19 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.789 0.722 . . . . 0.0 112.706 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.99 -53.77 44.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.769 1.628 . . . . 0.0 109.888 169.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.5 t -60.17 -40.65 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.034 0.934 . . . . 0.0 111.758 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -62.88 -26.71 68.91 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -86.2 -35.55 20.0 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -78.37 -48.43 15.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.325 0.65 . . . . 0.0 111.867 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -121.65 -12.72 8.46 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m 62.38 32.41 16.88 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.688 0.795 . . . . 0.0 111.612 -167.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 72.9 27.84 2.08 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.052 1.741 . . . . 0.0 112.749 176.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -118.41 115.57 24.93 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.553 1.541 . . . . 0.0 111.838 -175.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.3 p -68.01 -25.06 65.21 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.6 m -75.37 -4.86 41.83 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.4 1.0 . . . . 0.0 113.694 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -77.05 144.57 38.5 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.075 -1.016 . . . . 0.0 113.383 -171.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.1 p -145.05 158.16 43.9 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.688 1.995 . . . . 0.0 111.903 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -152.61 133.09 13.76 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.269 1.428 . . . . 0.0 111.441 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 m -89.58 148.06 23.58 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.117 1.367 . . . . 0.0 110.668 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -110.6 158.74 18.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.646 1.579 . . . . 0.0 112.019 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.57 -23.57 67.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.61 1.164 . . . . 0.0 113.565 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -80.74 -4.36 54.18 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.172 1.389 . . . . 0.0 114.16 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.22 -2.35 83.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.235 1.397 . . . . 0.0 114.714 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.5 p -82.48 165.14 20.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.798 1.239 . . . . 0.0 111.662 170.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -132.69 150.82 52.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.632 1.173 . . . . 0.0 110.937 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -103.23 141.53 35.73 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.727 2.011 . . . . 0.0 109.465 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -137.43 151.16 48.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.386 1.075 . . . . 0.0 113.617 -169.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.49 -152.41 29.12 Favored Glycine 0 N--CA 1.463 0.47 0 C-N-CA 123.749 0.69 . . . . 0.0 114.075 169.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -88.36 -21.76 24.18 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -112.8 10.51 19.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.802 1.641 . . . . 0.0 111.378 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 54.66 52.9 11.4 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.212 1.805 . . . . 0.0 110.927 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.5 mt -81.84 133.09 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.505 1.122 . . . . 0.0 109.109 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.67 137.26 34.0 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -169.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.65 -10.85 21.04 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 116.466 2.025 . . . . 0.0 116.466 -176.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -90.41 -15.81 30.26 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.892 1.277 . . . . 0.0 113.345 -177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -131.15 -52.95 1.04 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -167.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -110.28 -52.51 2.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.512 0.725 . . . . 0.0 112.086 -167.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.83 172.86 7.17 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.384 1.474 . . . . 0.0 111.743 169.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.51 140.77 51.64 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.219 1.008 . . . . 0.0 112.617 176.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -88.91 -11.22 45.14 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -176.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.93 -175.41 32.13 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.26 0.934 . . . . 0.0 112.315 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.1 -1.81 6.67 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -172.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -156.04 145.43 15.23 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 126.284 1.834 . . . . 0.0 109.966 -169.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.95 150.19 88.45 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.225 2.617 . . . . 0.0 110.823 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.64 32.59 0.03 OUTLIER Glycine 0 N--CA 1.475 1.259 0 N-CA-C 118.571 2.188 . . . . 0.0 118.571 -171.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -124.6 -164.36 1.26 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 118.794 1.297 . . . . 0.0 111.716 169.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -56.72 -31.99 65.06 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -168.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 82.1 m -100.3 4.52 44.15 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 56.98 47.39 17.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.689 1.596 . . . . 0.0 112.143 169.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.3 p -147.0 152.12 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.698 1.599 . . . . 0.0 110.06 -171.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -105.18 136.56 44.47 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.572 1.549 . . . . 0.0 110.134 -174.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.7 m -50.64 -35.21 29.45 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.95 1.3 . . . . 0.0 113.701 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -71.93 -31.65 66.56 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.48 -12.33 61.56 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 120.617 -1.302 . . . . 0.0 112.516 172.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.37 -14.14 55.72 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.473 -0.767 . . . . 0.0 112.248 172.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 mt -96.56 9.56 41.09 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.617 1.567 . . . . 0.0 113.319 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.3 t -89.14 -175.68 4.88 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.621 1.568 . . . . 0.0 112.335 -173.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -86.16 -4.22 59.12 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -172.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -122.4 124.04 42.74 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.377 1.471 . . . . 0.0 109.484 169.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.0 pt -67.36 -14.69 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 125.046 1.339 . . . . 0.0 113.348 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -51.79 -37.63 52.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.16 1.784 . . . . 0.0 114.871 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -64.84 -29.82 70.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.545 -0.722 . . . . 0.0 112.747 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.16 -40.73 14.34 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.538 1.135 . . . . 0.0 111.489 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.9 89.35 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.52 1.128 . . . . 0.0 113.053 -175.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.29 -33.25 71.33 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.105 -0.997 . . . . 0.0 112.693 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 33.8 t -66.57 -38.51 87.21 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.832 0.853 . . . . 0.0 111.068 171.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.93 85.16 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.333 1.053 . . . . 0.0 112.554 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.443 ' HD3' ' CE1' ' A' ' 18' ' ' PHE . 20.2 mmmt -62.29 -41.75 98.76 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.194 1.361 . . . . 0.0 112.48 171.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -66.51 -25.21 66.58 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.8 mt -74.94 -46.14 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 121.354 -0.841 . . . . 0.0 110.514 168.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -27.25 61.57 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.906 1.282 . . . . 0.0 114.098 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -55.67 -28.91 58.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.18 1.392 . . . . 0.0 114.36 169.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -109.6 -36.41 5.96 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.603 1.561 . . . . 0.0 111.939 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -145.5 88.66 1.87 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.785 1.634 . . . . 0.0 110.649 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -53.46 -40.47 65.29 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -169.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -140.01 -9.85 1.16 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.203 1.401 . . . . 0.0 113.106 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.62 -16.11 60.8 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.761 1.224 . . . . 0.0 114.176 -170.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.76 -8.39 55.18 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.488 1.115 . . . . 0.0 113.584 173.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 25.6 m-90 -118.3 140.73 49.38 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.589 1.556 . . . . 0.0 112.245 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -89.56 -30.66 18.05 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.029 0.932 . . . . 0.0 113.202 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.44 -35.22 81.33 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.747 0.689 . . . . 0.0 112.901 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -63.86 -42.93 97.44 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.996 -0.708 . . . . 0.0 112.7 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -77.45 -10.15 59.3 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.113 -0.992 . . . . 0.0 113.662 173.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -85.33 -36.0 21.08 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.358 1.063 . . . . 0.0 113.421 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.21 -14.18 0.7 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 118.181 2.66 . . . . 0.0 118.181 -174.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 74.5 m -78.94 -5.82 54.68 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.436 1.471 . . . . 0.0 113.746 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -80.98 -24.05 38.31 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.354 1.062 . . . . 0.0 112.93 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.23 -37.64 6.61 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.068 0.842 . . . . 0.0 113.607 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.1 t -170.03 155.85 5.76 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.748 1.619 . . . . 0.0 111.122 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -121.27 151.27 55.65 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.774 1.63 . . . . 0.0 111.735 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.62 153.65 69.31 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.84 3.027 . . . . 0.0 111.582 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -77.56 142.16 39.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.932 0.893 . . . . 0.0 111.577 170.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.6 pt -131.78 -1.1 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.414 1.886 . . . . 0.0 113.0 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.2 p -67.57 -10.23 50.0 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -175.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.5 p -84.88 -11.52 55.44 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.904 1.682 . . . . 0.0 114.038 169.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.9 m . . . . . 0 C--O 1.251 1.145 0 C-N-CA 125.83 1.652 . . . . 0.0 112.193 -177.088 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 CA-C-O 121.681 0.6 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -157.27 164.79 37.29 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 128.137 2.575 . . . . 0.0 112.379 -174.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m -101.78 138.57 38.58 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.362 1.465 . . . . 0.0 110.644 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -103.0 154.53 19.15 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.467 1.907 . . . . 0.0 110.334 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.9 t -95.52 159.64 14.9 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.133 1.373 . . . . 0.0 108.965 169.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.48 -49.04 75.83 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.247 0.93 . . . . 0.0 112.093 -172.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 p -63.78 -31.44 72.62 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.49 -45.73 58.64 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.19 0.9 . . . . 0.0 111.445 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.24 -49.95 73.7 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.188 1.395 . . . . 0.0 111.705 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.21 -46.71 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.128 0.971 . . . . 0.0 110.545 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -68.67 -42.95 77.17 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.48 -40.84 98.17 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.116 0.967 . . . . 0.0 111.255 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -71.89 -39.36 69.64 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.712 0.805 . . . . 0.0 112.032 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -57.33 -40.79 78.7 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.294 0.497 . . . . 0.0 111.808 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -67.65 -35.75 79.47 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.053 0.941 . . . . 0.0 112.531 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -87.75 5.24 40.92 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.196 1.398 . . . . 0.0 114.482 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.62 32.36 8.17 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.612 1.101 . . . . 0.0 114.829 169.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -97.66 131.84 43.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.832 1.253 . . . . 0.0 109.478 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.44 137.82 57.71 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.886 0.874 . . . . 0.0 113.066 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.64 -29.42 70.61 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -75.49 -15.34 60.42 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 175.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.8 mt -104.33 -13.63 16.06 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.4 1.48 . . . . 0.0 112.771 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.9 tpp -52.94 -43.12 66.05 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.216 1.406 . . . . 0.0 112.957 -173.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -55.97 -48.15 76.35 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.264 1.026 . . . . 0.0 112.469 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -61.36 -47.5 85.59 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.564 0.746 . . . . 0.0 110.604 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.9 m95 -63.1 -50.32 71.0 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.739 0.816 . . . . 0.0 112.5 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.61 -35.44 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 119.375 0.989 . . . . 0.0 111.906 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.39 -37.0 74.45 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.839 0.745 . . . . 0.0 112.206 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.65 -51.86 63.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.354 1.462 . . . . 0.0 110.616 171.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.9 t -57.94 -39.03 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.484 -0.76 . . . . 0.0 111.788 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.5 -26.87 66.57 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -34.16 38.34 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.927 1.24 . . . . 0.0 112.029 173.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.02 -60.77 2.11 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.926 0.891 . . . . 0.0 111.881 -173.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.8 p -112.11 -7.55 14.07 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.213 -0.93 . . . . 0.0 113.11 -174.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 m 62.05 24.11 14.31 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.66 1.184 . . . . 0.0 112.411 -169.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.1 mtm-85 73.27 28.72 1.78 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.032 1.733 . . . . 0.0 112.578 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -117.29 115.55 25.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.915 1.286 . . . . 0.0 112.157 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.9 p -66.09 -25.4 67.0 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -79.48 -6.98 58.09 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -73.15 140.66 47.21 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.82 -1.175 . . . . 0.0 112.901 -172.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.8 p -137.55 158.66 43.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.975 1.71 . . . . 0.0 111.584 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -149.48 131.83 15.6 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.979 1.311 . . . . 0.0 111.46 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.1 m -87.67 147.31 25.31 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.878 1.271 . . . . 0.0 110.146 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -110.31 157.72 19.19 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.583 1.553 . . . . 0.0 111.791 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -62.6 -23.87 67.27 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.481 1.112 . . . . 0.0 113.355 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -77.89 -7.49 56.79 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.492 1.517 . . . . 0.0 113.788 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.42 1.16 72.09 Favored Glycine 0 N--CA 1.475 1.277 0 C-N-CA 125.356 1.455 . . . . 0.0 114.9 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.8 p -87.26 165.35 15.73 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.374 1.47 . . . . 0.0 111.891 171.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -129.75 151.71 50.03 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.482 1.113 . . . . 0.0 111.287 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -102.86 145.36 29.91 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.496 1.919 . . . . 0.0 110.312 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -142.08 148.2 38.02 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.982 1.313 . . . . 0.0 113.276 -171.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.46 -177.51 48.98 Favored Glycine 0 N--CA 1.468 0.809 0 C-N-CA 123.816 0.722 . . . . 0.0 114.199 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.99 -23.7 67.43 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -168.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -104.33 7.22 35.68 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.469 1.108 . . . . 0.0 111.971 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 51.85 58.57 5.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.066 1.746 . . . . 0.0 111.384 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.7 mt -83.04 134.93 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 125.524 1.53 . . . . 0.0 109.336 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -96.91 140.24 31.76 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.35 -8.36 18.05 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -113.05 1.07 15.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.199 1.8 . . . . 0.0 112.65 -176.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -129.39 -41.96 1.35 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -172.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -144.56 -36.64 0.32 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -168.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -108.36 168.25 9.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.287 1.035 . . . . 0.0 112.15 168.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.35 138.6 53.64 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.804 1.241 . . . . 0.0 112.552 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -84.43 -15.2 47.02 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.34 -166.65 29.74 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.111 0.862 . . . . 0.0 112.989 -172.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.38 7.09 8.56 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -156.48 145.0 14.58 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.83 1.652 . . . . 0.0 110.363 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.71 160.43 48.21 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.589 2.859 . . . . 0.0 111.634 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.72 70.89 0.03 OUTLIER Glycine 0 N--CA 1.471 0.975 0 O-C-N 121.948 -0.47 . . . . 0.0 114.049 -174.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -151.48 -178.34 6.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 127.593 2.357 . . . . 0.0 110.0 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -59.9 -31.81 70.16 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.841 0.856 . . . . 0.0 112.971 174.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.3 m -93.84 -1.58 54.67 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 52.87 52.2 14.4 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.996 1.719 . . . . 0.0 112.685 170.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.49 146.48 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.624 1.17 . . . . 0.0 111.119 -171.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -101.35 135.0 43.56 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.11 1.764 . . . . 0.0 110.696 -174.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.8 m -48.82 -38.62 22.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.432 1.493 . . . . 0.0 114.348 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -77.16 -24.42 51.51 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.457 -0.777 . . . . 0.0 112.813 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.6 -11.15 60.53 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.722 -1.236 . . . . 0.0 112.211 170.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.4 mt -82.4 -9.82 59.3 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.099 -1.001 . . . . 0.0 112.587 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.0 mt -97.22 8.78 43.85 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.608 1.563 . . . . 0.0 112.62 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.5 p -69.13 162.8 26.23 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.125 1.77 . . . . 0.0 112.365 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -77.01 -1.68 30.06 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -120.89 127.79 52.2 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.235 1.814 . . . . 0.0 107.632 167.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.3 pt -68.8 -12.58 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 125.27 1.428 . . . . 0.0 113.446 -174.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.7 t -51.8 -39.37 58.57 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.982 1.713 . . . . 0.0 114.797 -169.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -64.2 -29.81 70.9 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.275 -0.891 . . . . 0.0 112.839 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.3 -41.97 15.05 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.389 1.075 . . . . 0.0 111.491 172.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.46 98.78 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.368 1.067 . . . . 0.0 113.106 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.37 -35.56 81.34 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.066 -1.022 . . . . 0.0 112.613 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 43.3 t -68.72 -39.98 80.17 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.489 0.715 . . . . 0.0 111.183 171.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.3 -37.12 76.9 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.056 0.942 . . . . 0.0 113.001 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -61.77 -44.02 97.7 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.143 1.338 . . . . 0.0 112.588 170.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -68.38 -24.97 64.84 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.314 -0.866 . . . . 0.0 112.836 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 96.2 mt -71.77 -48.11 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.416 -0.802 . . . . 0.0 110.231 168.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.5 -30.72 63.33 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.64 1.176 . . . . 0.0 113.371 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -57.51 -19.25 23.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.936 2.094 . . . . 0.0 115.502 169.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -115.86 -37.79 3.82 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.852 1.661 . . . . 0.0 111.872 174.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -145.6 91.86 2.16 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.189 1.796 . . . . 0.0 110.372 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -51.41 -41.73 60.96 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -170.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -142.03 -11.21 0.87 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.216 1.406 . . . . 0.0 113.242 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.83 -13.34 61.27 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.845 1.258 . . . . 0.0 113.915 -172.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.46 -7.21 41.6 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.439 1.096 . . . . 0.0 113.668 172.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.6 m-90 -128.71 123.01 31.97 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.438 1.495 . . . . 0.0 111.37 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -74.25 -35.24 63.81 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -167.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.86 -25.5 74.18 Favored Glycine 0 N--CA 1.473 1.111 0 O-C-N 121.483 -0.76 . . . . 0.0 113.476 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -67.43 -44.97 77.43 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.437 1.119 . . . . 0.0 111.194 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -80.91 -15.81 55.29 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -98.37 -32.79 11.33 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -127.31 -33.31 2.38 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.1 m -84.26 0.95 46.99 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -76.43 -32.41 58.45 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.854 0.861 . . . . 0.0 112.792 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.5 -30.35 19.12 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 123.739 0.685 . . . . 0.0 114.032 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.8 m -153.56 132.45 12.43 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.278 1.431 . . . . 0.0 111.206 -174.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.2 mt -121.06 150.57 53.69 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.778 1.631 . . . . 0.0 110.778 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -71.85 153.96 58.59 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.608 2.872 . . . . 0.0 111.271 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -77.41 142.1 39.43 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.896 0.879 . . . . 0.0 111.403 170.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 44.8 pt -129.86 -1.71 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.33 1.852 . . . . 0.0 113.07 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.3 p -68.16 -10.65 55.79 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 p -86.33 -10.66 54.0 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.964 1.706 . . . . 0.0 114.083 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.251 1.14 0 C-N-CA 126.017 1.727 . . . . 0.0 112.142 -176.302 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.051 0 N-CA-C 111.996 -0.441 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -155.23 164.21 39.11 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.745 1.618 . . . . 0.0 112.62 -172.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -107.36 132.7 52.86 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.727 1.211 . . . . 0.0 110.696 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -97.79 157.45 16.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.17 1.788 . . . . 0.0 110.748 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.7 t -96.87 159.87 14.67 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.011 1.324 . . . . 0.0 108.652 168.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -55.8 -45.9 78.14 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.502 1.046 . . . . 0.0 112.014 -175.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m -61.34 -35.09 76.45 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.31 42.48 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 124.162 0.887 . . . . 0.0 111.579 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.69 -49.02 76.76 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.105 1.362 . . . . 0.0 112.067 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.9 t -49.98 -45.86 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.764 0.826 . . . . 0.0 110.444 173.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -69.24 -41.31 77.14 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.885 0.874 . . . . 0.0 113.228 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.39 -42.22 98.8 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.279 1.032 . . . . 0.0 111.148 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.3 mt -72.07 -37.79 69.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.867 0.867 . . . . 0.0 111.965 176.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.61 -41.24 85.41 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.805 -0.559 . . . . 0.0 112.005 172.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -67.89 -35.01 77.76 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.617 0.767 . . . . 0.0 112.578 172.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -86.8 2.93 47.21 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.41 34.98 7.16 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 124.436 1.017 . . . . 0.0 114.415 170.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -91.13 154.59 19.25 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.229 1.012 . . . . 0.0 111.599 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -76.36 121.46 23.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.412 1.485 . . . . 0.0 110.295 -171.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.17 -27.63 69.1 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -81.45 -12.92 58.74 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.294 1.038 . . . . 0.0 113.726 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 mt -106.89 -3.37 20.34 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.575 1.15 . . . . 0.0 113.013 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.5 tpp -53.1 -41.22 64.77 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.879 1.218 . . . . 0.0 112.504 -174.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -55.71 -49.44 73.0 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.476 1.11 . . . . 0.0 112.345 172.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -60.49 -46.87 88.52 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.527 1.131 . . . . 0.0 110.691 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -64.7 -49.7 69.87 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.518 1.127 . . . . 0.0 112.391 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 m -66.17 -33.91 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.154 0.888 . . . . 0.0 111.874 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -70.86 -43.73 67.86 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.603 0.638 . . . . 0.0 112.05 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.14 -53.8 45.1 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.317 1.447 . . . . 0.0 110.337 169.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.3 t -61.58 -41.28 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.759 0.823 . . . . 0.0 111.927 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -62.61 -35.41 79.47 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -86.79 -19.76 28.56 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -85.39 -60.91 1.89 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.92 0.888 . . . . 0.0 111.814 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.1 p -113.31 -9.56 13.39 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -171.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m 67.07 23.05 9.77 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.367 1.467 . . . . 0.0 112.993 -169.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 72.22 26.77 2.68 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.668 1.587 . . . . 0.0 112.148 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -118.4 118.64 32.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.31 1.444 . . . . 0.0 111.167 -175.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.0 p -68.17 -26.08 65.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 119.151 -0.452 . . . . 0.0 112.122 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.9 m -78.74 -5.79 54.16 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -71.37 144.98 49.67 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.82 -1.175 . . . . 0.0 112.485 -175.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.6 p -142.87 159.94 41.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.592 1.557 . . . . 0.0 112.073 173.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -148.95 137.96 21.44 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.533 1.533 . . . . 0.0 111.036 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 m -94.57 142.24 27.67 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.642 1.177 . . . . 0.0 110.468 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -95.45 157.15 16.02 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.661 1.584 . . . . 0.0 111.669 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.7 mtm105 -61.7 -24.39 66.74 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.376 1.071 . . . . 0.0 113.28 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -84.85 -3.34 58.62 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.429 1.492 . . . . 0.0 114.211 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.37 -2.76 71.38 Favored Glycine 0 N--CA 1.475 1.234 0 C-N-CA 125.128 1.347 . . . . 0.0 115.265 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.1 p -81.78 168.78 17.66 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.746 1.273 . . . . 0.0 111.468 169.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -134.58 157.62 46.1 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.51 -1.369 . . . . 0.0 111.517 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -109.32 141.57 41.46 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 126.851 2.061 . . . . 0.0 109.597 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.7 148.66 41.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.246 1.018 . . . . 0.0 113.511 -169.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.56 -176.82 52.06 Favored Glycine 0 N--CA 1.468 0.767 0 CA-C-O 121.998 0.776 . . . . 0.0 113.908 172.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -20.7 66.55 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -168.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -107.61 8.16 29.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.662 1.185 . . . . 0.0 111.717 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 51.15 58.67 5.29 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.777 1.631 . . . . 0.0 111.258 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.402 HD13 ' SG ' ' A' ' 90' ' ' CYS . 14.5 mt -82.86 130.67 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 125.327 1.451 . . . . 0.0 109.472 -171.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.25 134.42 34.91 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.418 0.687 . . . . 0.0 111.95 -170.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.48 -9.02 15.85 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.9 ttp180 -85.13 -16.21 41.24 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.809 2.044 . . . . 0.0 113.398 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -136.9 -48.59 0.61 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -168.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -113.08 -50.02 2.89 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -167.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 p -101.19 166.18 10.91 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.235 1.414 . . . . 0.0 113.073 173.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.4 t -110.99 130.94 55.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.478 1.511 . . . . 0.0 111.982 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -81.62 -14.09 57.15 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.19 -167.34 33.37 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.178 0.894 . . . . 0.0 112.571 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.21 7.66 6.03 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.5 t -156.51 142.29 12.79 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 125.263 1.425 . . . . 0.0 110.862 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -65.51 147.49 86.81 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.377 2.718 . . . . 0.0 110.571 173.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.64 43.64 0.03 OUTLIER Glycine 0 N--CA 1.473 1.116 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 -171.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -132.42 -169.64 2.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.986 1.314 . . . . 0.0 110.451 168.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.3 -25.54 61.96 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -168.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.7 m -103.29 4.68 36.81 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.8 m120 58.98 43.52 17.68 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.509 1.524 . . . . 0.0 112.799 168.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.8 p -147.35 147.47 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.4 1.48 . . . . 0.0 110.458 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -97.85 134.64 40.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.281 1.432 . . . . 0.0 110.538 -176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 81.8 m -49.64 -36.57 25.06 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.412 1.485 . . . . 0.0 113.943 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.1 t -70.62 -29.2 65.51 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -71.89 -18.9 62.01 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.765 -1.209 . . . . 0.0 112.162 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.3 mt -74.74 -14.29 60.7 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.855 0.862 . . . . 0.0 112.464 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt -94.6 8.56 41.9 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.787 1.635 . . . . 0.0 112.819 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.1 p -76.69 177.41 7.57 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.466 1.506 . . . . 0.0 111.996 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -88.5 9.42 23.8 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.725 1.21 . . . . 0.0 113.702 -174.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -132.09 125.41 31.28 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.971 1.709 . . . . 0.0 108.322 169.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.2 pt -66.76 -14.4 17.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.769 1.228 . . . . 0.0 113.137 -174.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.8 t -53.12 -36.35 60.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.283 1.833 . . . . 0.0 114.623 -169.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -62.48 -32.88 73.85 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.61 -0.682 . . . . 0.0 112.19 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.13 -39.82 15.19 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.701 1.2 . . . . 0.0 111.53 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.4 -40.85 85.64 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.174 0.99 . . . . 0.0 113.393 -175.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -70.21 -33.38 71.63 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.036 -1.04 . . . . 0.0 112.538 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.402 ' SG ' HD13 ' A' ' 56' ' ' ILE . 30.4 t -66.3 -39.46 89.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.852 0.861 . . . . 0.0 111.129 171.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.72 83.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.52 1.128 . . . . 0.0 112.932 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -61.4 -42.94 99.53 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.27 1.395 . . . . 0.0 112.232 171.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -67.63 -22.3 65.34 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 94.2 mt -77.78 -46.86 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.443 -0.786 . . . . 0.0 110.483 168.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -28.41 62.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.696 1.198 . . . . 0.0 113.607 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -57.23 -23.31 47.15 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.84 1.656 . . . . 0.0 114.693 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -113.62 -37.53 4.57 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.919 1.688 . . . . 0.0 111.901 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -144.92 88.25 1.89 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.184 1.794 . . . . 0.0 110.53 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -53.79 -39.47 65.47 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -170.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -139.93 -14.49 1.05 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.11 1.364 . . . . 0.0 113.251 173.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.66 -14.34 62.43 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -173.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.28 -9.07 58.32 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 170.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -131.82 110.81 11.1 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.766 1.227 . . . . 0.0 113.036 -174.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -30.65 65.18 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.403 1.481 . . . . 0.0 112.488 171.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -56.81 -21.36 36.42 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.334 1.445 . . . . 0.0 112.953 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -93.45 -63.0 1.26 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 117.895 0.848 . . . . 0.0 111.102 167.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -65.2 -19.34 65.93 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -169.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -99.12 -4.03 33.2 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -135.64 -28.28 1.12 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -171.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 70.9 m -89.64 6.23 42.22 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.176 1.39 . . . . 0.0 114.054 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -74.22 -25.53 59.71 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.484 1.113 . . . . 0.0 112.855 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.16 -53.35 2.84 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 124.209 0.909 . . . . 0.0 112.615 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.7 t -169.16 170.14 8.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.854 1.662 . . . . 0.0 111.219 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 80.9 mt -120.86 154.28 57.52 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 126.368 1.867 . . . . 0.0 112.11 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -67.87 156.08 67.31 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.844 3.029 . . . . 0.0 111.551 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -81.32 152.31 27.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.431 1.093 . . . . 0.0 112.56 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.8 pt -133.33 -4.13 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.869 2.067 . . . . 0.0 113.346 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.1 m -69.62 -8.81 50.74 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.653 -1.279 . . . . 0.0 114.107 -174.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.7 p -86.22 -9.16 57.07 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.945 1.698 . . . . 0.0 113.952 170.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.034 1.733 . . . . 0.0 112.472 -173.296 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.104 0 N-CA-C 111.869 -0.492 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -156.08 165.31 36.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.876 1.671 . . . . 0.0 112.319 -170.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 m -111.76 126.29 54.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.423 1.089 . . . . 0.0 110.128 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -89.64 157.22 18.11 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.5 1.52 . . . . 0.0 110.878 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.9 t -95.3 161.92 13.89 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.966 1.306 . . . . 0.0 108.702 168.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -56.54 -49.48 74.67 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.314 0.961 . . . . 0.0 112.101 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -60.66 -38.22 84.16 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.657 -0.652 . . . . 0.0 112.512 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.69 -46.83 88.73 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 123.983 0.801 . . . . 0.0 111.687 174.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.58 -49.24 76.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.018 1.327 . . . . 0.0 111.931 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -49.43 -46.6 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.99 0.916 . . . . 0.0 110.422 173.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -69.08 -40.82 78.21 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.932 0.893 . . . . 0.0 113.085 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.12 -42.51 96.81 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.388 1.075 . . . . 0.0 110.889 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.96 -37.67 69.89 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.249 1.019 . . . . 0.0 112.29 176.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -57.7 -41.51 81.83 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.954 0.501 . . . . 0.0 111.888 172.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.46 -33.87 76.03 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.544 0.737 . . . . 0.0 112.606 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -87.56 4.65 42.82 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.963 1.305 . . . . 0.0 114.419 -175.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.83 21.63 27.93 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.639 1.114 . . . . 0.0 115.025 169.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 9.5 m-85 -83.91 139.87 32.33 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.447 1.123 . . . . 0.0 109.831 173.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -75.88 137.1 40.2 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.36 0.664 . . . . 0.0 111.888 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.32 -27.77 68.73 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -80.99 -15.97 54.72 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 175.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.4 mt -98.76 -13.9 19.98 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.776 1.231 . . . . 0.0 112.489 173.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -51.51 -41.82 61.27 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.282 1.433 . . . . 0.0 113.014 -173.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -55.78 -49.86 72.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.742 0.817 . . . . 0.0 112.11 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -61.82 -45.52 93.46 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.878 0.871 . . . . 0.0 110.523 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -64.47 -49.92 69.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.483 0.713 . . . . 0.0 112.737 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 m -66.68 -35.49 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.313 0.96 . . . . 0.0 111.706 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.8 -41.42 71.62 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.754 0.706 . . . . 0.0 111.833 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -55.61 -54.28 46.03 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.099 1.36 . . . . 0.0 110.006 170.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.99 -39.99 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.359 0.664 . . . . 0.0 111.866 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -64.81 -31.59 72.89 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -92.31 -15.17 27.73 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -87.66 -67.69 0.81 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.858 1.263 . . . . 0.0 111.408 173.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.3 p -107.17 -12.61 15.35 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.6 m 65.22 33.89 8.91 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.08 1.352 . . . . 0.0 112.998 -169.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.3 mtm-85 71.66 27.15 2.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.877 1.671 . . . . 0.0 112.496 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -118.45 115.11 23.96 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.426 1.49 . . . . 0.0 111.617 -173.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -71.16 -24.28 62.22 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.4 m -77.53 -2.06 33.67 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.545 1.066 . . . . 0.0 113.222 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.93 142.73 38.19 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.618 1.167 . . . . 0.0 113.016 -172.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 p -145.96 154.0 41.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.998 2.119 . . . . 0.0 111.004 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -150.82 123.87 8.76 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.455 0.702 . . . . 0.0 111.656 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.6 m -86.21 144.64 27.35 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.058 1.343 . . . . 0.0 110.142 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -118.03 159.83 22.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.558 1.543 . . . . 0.0 111.741 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -62.87 -23.41 67.3 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.438 1.095 . . . . 0.0 113.725 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -77.51 -7.85 56.89 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.26 1.424 . . . . 0.0 113.733 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.51 1.73 74.13 Favored Glycine 0 N--CA 1.475 1.236 0 C-N-CA 125.628 1.585 . . . . 0.0 114.728 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 p -88.27 163.04 16.29 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.171 1.388 . . . . 0.0 111.859 171.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -124.84 147.15 48.91 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.869 1.268 . . . . 0.0 110.95 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.61 149.21 21.7 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.828 1.651 . . . . 0.0 110.666 171.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -143.03 144.84 32.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.667 1.587 . . . . 0.0 112.836 -171.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.29 -176.31 53.5 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-O 122.196 0.886 . . . . 0.0 114.91 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.09 -27.25 69.26 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -168.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -103.09 11.03 37.66 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.097 0.959 . . . . 0.0 111.62 177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 54.63 53.01 11.23 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.18 1.392 . . . . 0.0 110.58 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.6 mt -86.46 131.33 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.052 1.341 . . . . 0.0 110.003 -170.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -96.04 140.39 30.84 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -63.04 -10.17 13.08 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 -176.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -110.02 1.12 18.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.03 1.732 . . . . 0.0 112.766 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -130.19 -42.73 1.2 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -171.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -144.58 -36.76 0.31 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -168.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.0 p -109.38 168.02 9.69 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.433 1.093 . . . . 0.0 111.418 168.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.39 138.96 52.74 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.624 1.169 . . . . 0.0 112.399 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -91.54 -10.2 41.54 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.486 1.661 . . . . 0.0 115.486 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.68 -156.5 9.59 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 123.661 0.648 . . . . 0.0 113.534 -169.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.45 1.46 22.13 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -159.98 156.75 24.47 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 126.31 1.844 . . . . 0.0 111.235 -176.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -68.29 161.66 43.72 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.587 2.858 . . . . 0.0 110.74 169.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 163.52 73.95 0.03 OUTLIER Glycine 0 N--CA 1.473 1.105 0 O-C-N 121.994 -0.441 . . . . 0.0 114.121 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -153.58 -177.86 6.64 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.569 2.348 . . . . 0.0 110.363 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.39 -35.64 63.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.363 1.065 . . . . 0.0 112.808 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 63.7 m -97.24 -0.07 47.35 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 53.54 49.89 18.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.601 1.56 . . . . 0.0 113.048 169.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.4 p -147.78 143.9 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.599 1.16 . . . . 0.0 111.412 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -96.94 135.8 38.41 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.569 1.547 . . . . 0.0 111.307 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 72.6 m -48.41 -37.45 17.04 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.101 1.76 . . . . 0.0 114.308 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -70.24 -32.5 70.38 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.7 -16.27 63.31 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.763 -1.211 . . . . 0.0 112.923 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.0 mt -77.26 -13.29 59.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.057 0.943 . . . . 0.0 112.554 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.3 mt -96.24 5.75 50.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.452 1.501 . . . . 0.0 113.343 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -78.33 179.06 7.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.169 1.388 . . . . 0.0 111.823 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -85.83 16.23 4.23 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.853 1.261 . . . . 0.0 113.144 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.56 123.16 13.26 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.237 2.215 . . . . 0.0 109.715 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.3 pt -78.02 -13.34 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -169.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.46 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -62.5 -26.88 68.78 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -166.316 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -65.06 -32.28 73.92 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.016 -1.052 . . . . 0.0 112.113 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.04 -39.25 18.23 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.259 1.023 . . . . 0.0 111.281 174.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 85' ' ' THR . . . -69.3 -40.19 77.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.968 0.907 . . . . 0.0 113.095 -176.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -67.07 -35.37 79.69 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.977 -1.077 . . . . 0.0 112.428 173.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.8 t -65.1 -40.77 95.02 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.794 0.837 . . . . 0.0 110.744 172.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.11 -35.93 76.32 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.237 1.015 . . . . 0.0 112.798 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.405 ' HD3' ' CE1' ' A' ' 18' ' ' PHE . 19.9 mmmt -64.82 -43.24 93.76 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.217 1.371 . . . . 0.0 112.625 172.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -68.47 -22.79 64.54 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.321 -0.862 . . . . 0.0 112.853 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 93.6 mt -74.26 -47.3 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 121.305 -0.872 . . . . 0.0 109.913 167.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -28.88 63.4 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.675 1.19 . . . . 0.0 113.995 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -56.29 -26.11 50.75 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.294 1.438 . . . . 0.0 114.559 169.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -112.48 -32.74 6.38 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.162 1.785 . . . . 0.0 112.629 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -148.45 81.38 1.46 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.083 2.153 . . . . 0.0 110.039 -173.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -38.66 42.79 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -168.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -141.6 -1.86 1.26 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.667 1.187 . . . . 0.0 113.063 169.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.63 -18.17 57.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.225 1.81 . . . . 0.0 114.492 -168.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.91 -3.87 37.8 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.779 1.232 . . . . 0.0 113.708 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -123.85 147.91 47.22 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.018 1.727 . . . . 0.0 111.703 -176.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -89.85 -39.8 12.84 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.643 0.777 . . . . 0.0 113.049 -171.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.39 -29.81 75.67 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 124.059 0.838 . . . . 0.0 113.053 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -64.1 -43.96 93.77 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 117.879 0.839 . . . . 0.0 113.007 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -89.62 -16.5 30.38 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -98.32 -22.5 16.08 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -133.23 -45.86 0.84 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 30.2 m -70.55 -7.7 45.78 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -172.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -73.64 -22.54 59.95 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.982 0.913 . . . . 0.0 112.696 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.54 -35.74 16.07 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 123.741 0.686 . . . . 0.0 113.552 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 t -170.98 150.04 3.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.805 1.642 . . . . 0.0 111.116 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.9 mt -119.5 149.18 47.34 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 125.755 1.622 . . . . 0.0 110.96 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -74.69 166.76 28.62 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.911 3.074 . . . . 0.0 111.621 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -77.31 147.81 36.01 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.756 0.822 . . . . 0.0 112.719 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 49.7 pt -127.79 -6.05 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.515 1.526 . . . . 0.0 113.483 169.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.5 m -69.93 -21.5 63.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.012 1.278 . . . . 0.0 112.645 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.7 t -80.95 -4.52 55.27 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.442 1.097 . . . . 0.0 113.358 169.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 C--O 1.249 1.065 0 C-N-CA 125.473 1.509 . . . . 0.0 112.43 -176.258 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.046 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -154.61 164.17 39.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.078 1.751 . . . . 0.0 112.546 -172.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 m -112.99 131.57 55.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.71 1.204 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -95.6 160.61 14.42 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.712 1.605 . . . . 0.0 111.482 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -102.79 161.63 13.58 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.487 1.515 . . . . 0.0 107.857 166.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -57.54 -44.12 84.93 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.163 0.892 . . . . 0.0 111.925 -174.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.68 -26.63 68.75 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.92 -49.26 6.53 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.499 1.047 . . . . 0.0 111.197 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.47 -46.59 89.4 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.663 1.185 . . . . 0.0 112.355 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.3 t -51.7 -44.28 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.251 0.932 . . . . 0.0 110.717 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -70.99 -42.49 69.6 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.148 0.979 . . . . 0.0 112.912 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.25 -41.38 96.81 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.016 1.326 . . . . 0.0 111.134 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -75.29 -40.77 58.34 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.052 0.941 . . . . 0.0 112.252 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -54.99 -41.96 71.87 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.512 0.596 . . . . 0.0 111.589 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -68.59 -38.24 80.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.736 1.614 . . . . 0.0 112.738 174.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -83.49 0.01 48.26 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.07 40.73 3.68 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 124.716 1.151 . . . . 0.0 114.559 171.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -106.43 140.04 39.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.163 1.385 . . . . 0.0 109.624 173.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -77.18 137.61 38.97 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.256 0.623 . . . . 0.0 112.092 -172.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.4 -26.83 68.11 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -82.55 -15.16 53.32 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.1 mt -100.11 -13.05 19.15 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.937 1.295 . . . . 0.0 112.417 173.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.5 tpp -52.34 -43.74 64.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.372 1.469 . . . . 0.0 113.101 -173.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -55.18 -49.35 72.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.113 0.965 . . . . 0.0 112.221 174.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.04 -45.12 96.07 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.817 0.847 . . . . 0.0 110.779 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -66.11 -48.98 69.13 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.848 0.859 . . . . 0.0 112.777 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 m -66.29 -34.36 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.486 1.039 . . . . 0.0 111.747 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.6 t -70.01 -43.12 72.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.459 0.572 . . . . 0.0 111.831 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -54.42 -55.22 30.97 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.162 1.385 . . . . 0.0 110.245 169.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.4 t -61.58 -41.15 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.873 0.869 . . . . 0.0 112.391 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -63.1 -41.86 99.47 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.331 0.514 . . . . 0.0 112.164 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -81.58 -19.11 42.63 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -85.61 -56.95 3.26 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.067 0.947 . . . . 0.0 111.899 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 m -124.79 -0.95 7.94 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -169.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m 65.61 21.22 11.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.644 1.578 . . . . 0.0 113.183 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 63.9 28.47 14.57 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.98 1.712 . . . . 0.0 113.252 -171.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -110.93 118.83 37.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.162 1.385 . . . . 0.0 110.3 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.1 p -68.51 -26.57 65.51 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 119.171 -0.442 . . . . 0.0 111.99 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.9 m -77.93 -3.97 44.51 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -73.35 142.36 47.06 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.958 -1.089 . . . . 0.0 113.023 -173.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.5 p -145.21 155.4 43.23 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.14 1.776 . . . . 0.0 111.965 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -148.0 130.97 16.22 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.036 1.334 . . . . 0.0 111.319 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.9 m -87.89 144.3 26.65 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.907 1.283 . . . . 0.0 110.174 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -108.49 157.95 17.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.111 1.364 . . . . 0.0 111.533 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.77 -23.83 66.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.459 1.104 . . . . 0.0 113.311 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -68.83 -18.55 64.19 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.705 1.602 . . . . 0.0 114.136 173.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.32 -1.78 70.2 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.223 1.392 . . . . 0.0 114.267 -175.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.4 p -85.79 158.93 19.87 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.131 1.372 . . . . 0.0 111.21 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -126.37 152.46 46.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.685 1.194 . . . . 0.0 111.102 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -101.25 145.01 29.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 126.711 2.004 . . . . 0.0 109.946 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -143.64 150.23 38.45 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.019 1.327 . . . . 0.0 113.233 -172.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.98 -177.95 47.26 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 121.634 -0.666 . . . . 0.0 113.859 172.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.94 -13.85 60.5 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 -169.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -114.77 14.12 17.39 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.864 1.265 . . . . 0.0 111.388 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 45.23 58.94 3.78 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.275 1.83 . . . . 0.0 111.784 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.418 HD13 ' SG ' ' A' ' 90' ' ' CYS . 12.5 mt -83.74 130.3 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.937 1.295 . . . . 0.0 110.074 -171.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -91.31 138.35 31.65 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -66.61 -10.41 45.45 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -83.93 -18.59 36.83 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.327 1.051 . . . . 0.0 113.146 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -132.64 -58.25 0.93 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -167.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -100.73 -52.22 3.38 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.737 0.815 . . . . 0.0 112.899 -167.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -101.38 162.7 12.71 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.313 1.445 . . . . 0.0 111.744 169.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.9 t -110.27 137.33 48.15 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.868 1.667 . . . . 0.0 112.685 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -10.94 59.76 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 176.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.18 -167.9 21.85 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.07 0.843 . . . . 0.0 113.453 -171.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.72 -9.72 59.69 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.5 m -140.31 152.12 66.08 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.418 1.887 . . . . 0.0 110.779 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -68.6 154.31 71.78 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.425 2.75 . . . . 0.0 110.875 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.34 41.16 0.02 OUTLIER Glycine 0 N--CA 1.475 1.264 0 N-CA-C 116.03 1.172 . . . . 0.0 116.03 -174.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -128.54 -173.3 2.92 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.331 1.853 . . . . 0.0 110.305 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.44 -26.44 61.18 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -169.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 63.3 m -106.16 7.1 31.46 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.571 1.149 . . . . 0.0 113.906 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.25 48.84 16.44 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.867 1.667 . . . . 0.0 112.521 172.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -151.06 152.67 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.409 1.484 . . . . 0.0 110.518 -171.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -106.58 136.4 46.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.135 1.774 . . . . 0.0 110.97 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.1 m -50.93 -36.64 39.58 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.174 1.389 . . . . 0.0 114.057 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -71.53 -32.01 67.69 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -71.17 -16.06 62.51 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.809 -1.182 . . . . 0.0 112.605 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.89 -13.92 60.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.386 0.675 . . . . 0.0 112.74 173.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.9 mt -94.97 8.84 41.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.361 1.464 . . . . 0.0 112.854 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.5 p -75.92 177.84 6.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.884 1.674 . . . . 0.0 112.131 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -90.66 12.19 19.76 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.927 1.291 . . . . 0.0 113.738 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -134.84 125.7 27.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.043 1.737 . . . . 0.0 108.295 169.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 pt -67.65 -13.67 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.485 1.114 . . . . 0.0 113.163 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -53.79 -35.66 61.6 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.086 1.754 . . . . 0.0 114.277 -170.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.12 -34.13 75.77 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.599 -0.688 . . . . 0.0 112.195 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.04 -39.9 15.2 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.913 1.285 . . . . 0.0 111.587 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.92 91.79 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.365 1.066 . . . . 0.0 113.217 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.99 -33.45 74.66 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.867 -1.145 . . . . 0.0 112.497 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.418 ' SG ' HD13 ' A' ' 56' ' ' ILE . 39.0 t -68.51 -36.42 78.85 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.057 0.943 . . . . 0.0 111.409 171.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.95 89.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.155 0.982 . . . . 0.0 112.663 170.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.1 -42.15 98.93 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.223 1.374 . . . . 0.0 112.252 171.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -65.38 -23.23 66.92 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.816 0.846 . . . . 0.0 113.107 177.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.6 mt -79.02 -47.34 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.882 0.873 . . . . 0.0 110.622 168.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -26.23 58.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.997 1.319 . . . . 0.0 113.725 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -58.23 -16.28 13.24 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.275 1.83 . . . . 0.0 115.152 169.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.8 mmt-85 -128.77 -31.69 2.17 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.595 1.558 . . . . 0.0 112.938 175.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.07 84.05 1.95 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.816 1.646 . . . . 0.0 110.494 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.56 -39.98 50.86 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -169.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -143.44 -6.53 0.8 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.601 1.56 . . . . 0.0 113.106 171.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -79.99 -12.66 59.69 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -169.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.03 -5.04 36.25 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.004 0.922 . . . . 0.0 113.304 171.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -128.1 143.62 51.07 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.773 1.629 . . . . 0.0 112.329 -176.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -90.09 -30.95 17.35 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.79 1.236 . . . . 0.0 112.616 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.85 -18.99 60.41 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 125.317 1.437 . . . . 0.0 113.579 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -79.75 -70.65 0.5 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 117.964 0.882 . . . . 0.0 110.858 168.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -63.56 -22.61 66.99 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -82.16 -7.89 59.63 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -138.72 -44.55 0.48 Allowed 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -174.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.9 m -69.52 -19.18 63.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.438 1.495 . . . . 0.0 114.333 -173.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.96 -14.88 58.26 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.936 0.894 . . . . 0.0 112.333 172.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.59 -50.81 2.09 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.213 1.387 . . . . 0.0 112.072 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.3 t -166.73 152.55 8.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.475 1.11 . . . . 0.0 112.354 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 79.0 mt -117.38 152.74 49.7 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.515 1.526 . . . . 0.0 112.306 175.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -70.64 153.69 64.74 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.821 3.014 . . . . 0.0 110.735 171.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -82.52 149.57 27.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.252 1.025 . . . . 0.0 111.875 171.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.4 pt -132.65 0.21 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.104 2.162 . . . . 0.0 112.802 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 m -64.73 -12.26 45.09 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -172.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.9 p -88.56 -9.62 51.67 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.963 1.705 . . . . 0.0 114.049 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 39.9 m . . . . . 0 C--O 1.251 1.148 0 C-N-CA 125.979 1.712 . . . . 0.0 112.489 -175.51 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.101 0 N-CA-C 111.829 -0.508 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -154.56 161.87 41.42 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.566 1.546 . . . . 0.0 112.626 -170.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 m -112.31 132.42 54.98 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.044 1.338 . . . . 0.0 110.116 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -99.5 156.21 17.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.76 1.624 . . . . 0.0 111.006 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 t -94.93 162.14 13.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.937 1.295 . . . . 0.0 108.596 167.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -56.39 -48.05 77.69 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.342 0.974 . . . . 0.0 111.984 -174.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -61.04 -39.01 88.16 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.554 -0.717 . . . . 0.0 112.775 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.85 -45.66 91.88 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 123.92 0.771 . . . . 0.0 111.64 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.08 -49.21 75.38 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.933 1.293 . . . . 0.0 111.94 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.6 t -49.54 -45.69 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.919 0.888 . . . . 0.0 110.545 174.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -69.78 -41.98 74.38 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.133 0.973 . . . . 0.0 113.471 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -64.93 -37.33 87.29 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.606 1.162 . . . . 0.0 111.364 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.34 -39.16 54.69 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.865 0.866 . . . . 0.0 112.136 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -56.62 -41.27 76.81 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.877 -0.514 . . . . 0.0 111.544 171.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -64.06 -36.24 83.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.572 1.549 . . . . 0.0 112.725 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -91.45 4.53 52.27 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.357 1.463 . . . . 0.0 114.857 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.81 36.56 6.37 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.409 1.004 . . . . 0.0 114.464 171.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -99.89 137.42 38.37 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.902 1.281 . . . . 0.0 109.369 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -76.62 138.69 40.26 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.387 0.675 . . . . 0.0 111.983 -172.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.26 -26.86 68.05 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -82.6 -15.88 50.53 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.9 mt -99.22 -15.46 18.89 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.871 1.268 . . . . 0.0 112.324 173.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.9 tpp -50.85 -44.02 59.37 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.54 1.536 . . . . 0.0 112.999 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -55.21 -48.61 73.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.195 0.998 . . . . 0.0 112.564 174.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.78 -46.14 90.85 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.519 0.727 . . . . 0.0 110.736 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -64.38 -48.89 73.74 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.723 0.809 . . . . 0.0 112.533 -177.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 m -67.08 -34.93 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.352 0.978 . . . . 0.0 111.802 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.03 -32.99 67.68 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.787 0.721 . . . . 0.0 112.701 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 tt -65.54 -54.39 28.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.943 1.697 . . . . 0.0 109.868 169.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 t -60.23 -40.11 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.851 0.86 . . . . 0.0 111.868 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -62.86 -28.71 70.22 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -87.15 -30.47 21.02 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.44 1.018 . . . . 0.0 113.49 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -79.89 -57.06 3.83 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.633 0.773 . . . . 0.0 111.421 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.1 p -116.16 -9.12 11.69 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -175.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.1 m 63.67 27.97 14.91 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.854 1.261 . . . . 0.0 112.488 -168.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 70.8 29.85 3.06 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.42 1.488 . . . . 0.0 112.252 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -120.76 116.9 26.14 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.286 1.434 . . . . 0.0 111.649 -175.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -68.15 -26.97 66.04 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 122.199 -0.313 . . . . 0.0 111.629 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.5 m -74.0 -5.19 39.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -75.66 143.49 42.18 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.05 -1.031 . . . . 0.0 113.097 -172.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 p -143.19 153.49 42.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.562 1.945 . . . . 0.0 111.375 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -148.63 127.1 12.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.41 1.484 . . . . 0.0 110.624 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.9 m -96.02 138.72 33.25 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.946 1.298 . . . . 0.0 110.252 -176.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -101.82 159.34 15.42 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.382 1.473 . . . . 0.0 111.894 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -62.91 -24.38 67.82 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.394 1.078 . . . . 0.0 113.128 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -63.43 -28.24 69.84 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.919 1.688 . . . . 0.0 113.949 171.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.7 -11.08 59.31 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.446 1.498 . . . . 0.0 113.484 -169.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -71.47 160.03 33.45 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.618 1.209 . . . . 0.0 111.711 169.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -131.44 149.51 52.5 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.749 1.22 . . . . 0.0 111.064 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -101.03 142.17 32.87 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.326 1.85 . . . . 0.0 110.023 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -139.76 147.01 40.22 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.875 1.27 . . . . 0.0 113.261 -169.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.85 -176.31 53.01 Favored Glycine 0 N--CA 1.468 0.832 0 O-C-N 121.498 -0.751 . . . . 0.0 114.112 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -24.3 67.7 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -168.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -104.06 7.58 36.44 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.434 1.094 . . . . 0.0 111.927 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 50.31 59.38 4.6 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.77 1.628 . . . . 0.0 111.549 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.1 mt -85.08 134.88 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 125.231 1.412 . . . . 0.0 109.537 -173.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -96.58 138.1 34.66 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -169.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -65.36 -12.95 57.05 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -91.34 -16.14 27.95 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.606 1.162 . . . . 0.0 112.868 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -129.29 -33.58 1.91 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 116.896 2.184 . . . . 0.0 116.896 -167.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -137.5 -42.8 0.55 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -168.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.0 p -107.52 167.48 9.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.997 0.919 . . . . 0.0 111.525 168.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.37 137.76 53.52 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.649 1.18 . . . . 0.0 112.581 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 pttm -90.9 -9.24 46.96 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.728 1.751 . . . . 0.0 115.728 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.02 -166.08 20.63 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.204 0.906 . . . . 0.0 112.542 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.59 -3.56 35.02 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.7 m -145.18 152.49 50.94 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 125.989 1.716 . . . . 0.0 110.987 -174.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -69.34 161.18 46.91 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.369 2.712 . . . . 0.0 110.69 170.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.13 72.36 0.03 OUTLIER Glycine 0 N--CA 1.472 1.077 0 O-C-N 121.968 -0.457 . . . . 0.0 113.902 -176.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -153.18 -178.75 7.15 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.363 2.265 . . . . 0.0 110.671 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.93 -25.83 67.05 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.461 1.105 . . . . 0.0 113.333 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 34.2 m -99.67 -3.45 33.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.929 1.292 . . . . 0.0 113.864 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.1 t30 52.51 54.64 10.31 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.223 1.809 . . . . 0.0 113.207 172.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.16 147.52 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.581 1.152 . . . . 0.0 111.557 -172.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -99.77 135.25 41.47 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.044 1.737 . . . . 0.0 110.967 -177.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.7 m -48.67 -38.34 20.95 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.566 1.546 . . . . 0.0 113.397 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -24.55 61.91 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.305 1.842 . . . . 0.0 114.138 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -79.17 -7.41 58.19 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.405 1.002 . . . . 0.0 112.263 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.01 -15.78 37.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.983 0.913 . . . . 0.0 112.191 174.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.4 mt -93.54 4.6 53.69 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.717 1.607 . . . . 0.0 113.514 -177.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 t -84.34 -175.48 5.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.453 1.501 . . . . 0.0 112.013 -174.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -89.56 20.19 4.11 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.06 1.744 . . . . 0.0 113.218 -172.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -150.78 123.83 8.76 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.634 2.374 . . . . 0.0 109.404 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.4 pt -80.22 -13.05 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -169.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -63.03 -27.14 69.21 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -166.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -63.97 -33.22 75.24 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.121 -0.987 . . . . 0.0 112.121 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.97 -39.71 19.39 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.88 0.872 . . . . 0.0 111.246 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 85' ' ' THR . . . -66.84 -42.21 86.13 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -177.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.42 -35.25 80.38 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.771 -1.206 . . . . 0.0 112.382 174.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.22 -37.27 80.66 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.917 0.887 . . . . 0.0 111.167 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.21 89.49 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.946 0.898 . . . . 0.0 112.513 170.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -62.86 -42.3 99.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.503 1.501 . . . . 0.0 112.523 170.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -63.28 -28.0 69.72 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.901 0.881 . . . . 0.0 112.744 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.31 -45.64 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.771 0.828 . . . . 0.0 111.45 169.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -28.72 62.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.772 1.229 . . . . 0.0 113.407 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -59.33 -22.94 62.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.799 1.64 . . . . 0.0 114.806 169.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -107.29 -42.36 4.86 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.125 1.77 . . . . 0.0 111.312 176.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -147.97 97.41 2.79 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.387 1.875 . . . . 0.0 110.494 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -53.04 -38.99 62.88 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -170.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -143.6 -18.17 0.61 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.887 1.275 . . . . 0.0 113.588 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.7 -14.83 62.6 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -173.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.19 -9.68 56.49 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.248 1.019 . . . . 0.0 113.716 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -120.21 122.98 42.14 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.34 1.456 . . . . 0.0 111.55 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -71.26 -31.56 67.66 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -171.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.27 -37.06 94.0 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 123.939 0.781 . . . . 0.0 112.688 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -64.34 -45.44 87.83 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.956 0.878 . . . . 0.0 112.623 177.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -77.46 -10.22 59.34 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -91.98 -35.52 13.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.88 1.272 . . . . 0.0 113.693 174.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 -27.46 1.22 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -169.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.46 -8.24 55.63 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.754 -1.216 . . . . 0.0 113.677 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -77.66 -22.54 50.45 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.447 1.099 . . . . 0.0 112.679 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.23 -35.47 7.53 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.125 0.869 . . . . 0.0 113.94 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 m -170.76 153.74 4.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.788 2.035 . . . . 0.0 111.082 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 89.2 mt -121.34 151.69 56.51 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.769 1.628 . . . . 0.0 111.123 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -72.02 152.13 56.73 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.82 3.013 . . . . 0.0 110.693 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -78.56 148.05 33.51 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 122.123 0.963 . . . . 0.0 111.611 170.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.6 pt -131.12 0.05 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.941 2.096 . . . . 0.0 112.715 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.0 m -64.42 -13.35 50.78 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -173.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.4 p -88.74 -10.25 49.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.994 1.718 . . . . 0.0 114.02 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.7 m . . . . . 0 C--O 1.254 1.307 0 C-N-CA 126.043 1.737 . . . . 0.0 112.317 -175.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 N-CA-C 112.371 -0.292 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -160.14 164.13 33.19 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.704 2.002 . . . . 0.0 112.288 -172.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.5 m -119.89 134.47 55.23 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.826 1.25 . . . . 0.0 110.708 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -101.59 160.68 14.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.626 1.57 . . . . 0.0 111.853 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t -104.67 161.93 13.72 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.919 1.688 . . . . 0.0 108.191 167.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -57.14 -48.81 77.77 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.236 0.925 . . . . 0.0 112.36 -171.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.8 p -63.96 -28.33 69.74 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.07 -48.63 31.45 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.176 0.893 . . . . 0.0 111.226 172.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.16 -47.72 83.27 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.605 1.162 . . . . 0.0 112.271 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -49.48 -45.73 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.217 0.917 . . . . 0.0 110.564 174.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -70.26 -41.73 73.08 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.062 0.945 . . . . 0.0 113.302 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.08 -40.48 95.96 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.514 1.126 . . . . 0.0 111.448 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.37 -38.4 63.18 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.217 1.007 . . . . 0.0 112.143 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -58.27 -39.69 79.89 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.401 0.546 . . . . 0.0 112.095 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -68.26 -29.68 68.53 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.789 0.836 . . . . 0.0 112.89 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -94.46 4.69 53.53 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.2 1.4 . . . . 0.0 114.51 -175.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.99 35.76 6.62 Favored Glycine 0 N--CA 1.472 1.094 0 C-N-CA 124.29 0.948 . . . . 0.0 114.394 171.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -100.09 137.79 38.05 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.844 1.258 . . . . 0.0 109.581 173.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -77.58 138.76 39.33 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.384 0.674 . . . . 0.0 111.897 -172.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.19 -26.92 68.05 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -82.48 -16.04 50.27 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.0 mt -99.39 -14.45 19.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.879 1.272 . . . . 0.0 112.407 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -51.43 -43.3 62.0 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.465 1.506 . . . . 0.0 113.034 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -55.03 -50.14 69.79 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.221 1.008 . . . . 0.0 112.521 173.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -60.31 -44.79 95.12 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.651 0.781 . . . . 0.0 110.707 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -66.91 -48.65 68.03 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.874 0.869 . . . . 0.0 112.969 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 m -66.09 -34.21 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.369 0.986 . . . . 0.0 111.683 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.5 t -70.45 -43.63 69.45 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.518 0.599 . . . . 0.0 111.871 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.16 -55.37 24.67 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.376 1.471 . . . . 0.0 110.304 169.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -62.07 -42.41 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.72 0.808 . . . . 0.0 112.087 -177.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -62.97 -38.03 89.46 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -83.9 -17.48 40.62 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -87.08 -56.9 3.17 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.123 0.969 . . . . 0.0 112.158 174.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.1 p -117.86 -9.77 10.58 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -173.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.2 m 67.98 24.01 8.05 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.7 1.6 . . . . 0.0 112.356 -168.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 66.59 33.9 6.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.113 1.765 . . . . 0.0 112.406 -174.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -116.78 115.59 25.88 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.515 1.126 . . . . 0.0 110.896 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.7 p -67.53 -28.04 67.47 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 122.447 -0.158 . . . . 0.0 111.017 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.7 m -73.1 -5.87 41.93 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -75.65 143.57 42.15 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.991 -1.068 . . . . 0.0 113.244 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 p -146.99 152.67 39.0 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.435 1.894 . . . . 0.0 111.405 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -150.54 125.1 9.63 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.328 1.451 . . . . 0.0 111.224 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.0 m -87.38 140.04 29.94 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.939 1.296 . . . . 0.0 110.054 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -104.27 161.48 14.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.875 1.27 . . . . 0.0 112.625 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -64.69 -23.08 67.14 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.429 1.092 . . . . 0.0 113.247 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -85.57 5.51 31.3 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.731 1.612 . . . . 0.0 113.481 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.82 -1.71 88.41 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 125.715 1.626 . . . . 0.0 115.486 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.0 p -82.3 170.86 14.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.729 1.212 . . . . 0.0 111.84 170.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -134.09 147.97 50.95 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.472 1.109 . . . . 0.0 110.903 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -101.66 143.01 32.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.292 1.837 . . . . 0.0 109.969 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -140.05 149.51 43.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.306 1.442 . . . . 0.0 112.928 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.54 -176.97 51.89 Favored Glycine 0 N--CA 1.468 0.825 0 O-C-N 121.392 -0.818 . . . . 0.0 114.216 169.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.82 -24.29 67.69 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 -168.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -104.54 7.18 35.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.373 1.069 . . . . 0.0 111.638 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 51.32 60.08 4.13 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.85 1.66 . . . . 0.0 111.385 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.411 HD13 ' SG ' ' A' ' 90' ' ' CYS . 13.7 mt -87.03 136.94 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 125.538 1.535 . . . . 0.0 110.265 -172.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -93.42 138.88 31.31 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -169.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -67.01 -11.13 56.14 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -99.88 -12.47 19.82 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.755 1.222 . . . . 0.0 112.948 -176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -131.67 -27.31 1.93 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 -167.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -138.78 -55.83 0.61 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.183 0.901 . . . . 0.0 112.118 -168.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -98.36 174.69 6.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.774 1.23 . . . . 0.0 111.231 168.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.23 140.66 51.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.338 1.055 . . . . 0.0 112.737 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -85.12 -12.97 51.68 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -171.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.64 -164.5 19.4 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.086 0.851 . . . . 0.0 112.716 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.56 -6.73 54.69 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.5 m -138.67 150.07 64.6 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 125.883 1.673 . . . . 0.0 111.514 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -70.0 158.47 56.53 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.728 2.952 . . . . 0.0 110.741 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.38 37.32 0.02 OUTLIER Glycine 0 N--CA 1.475 1.277 0 N-CA-C 118.502 2.161 . . . . 0.0 118.502 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -127.92 -165.53 1.5 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.824 1.312 . . . . 0.0 111.888 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.4 -21.92 52.21 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.039 1.496 . . . . 0.0 115.039 -169.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 62.1 m -109.54 3.85 21.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.599 1.16 . . . . 0.0 114.117 176.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.9 m120 58.15 44.93 18.31 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.646 1.578 . . . . 0.0 112.934 169.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.5 p -148.87 153.53 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.365 1.466 . . . . 0.0 110.656 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -103.96 136.05 44.32 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.915 1.686 . . . . 0.0 111.267 -174.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.6 m -51.66 -37.01 48.62 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.254 1.422 . . . . 0.0 113.771 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -74.02 -28.42 61.43 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -18.65 63.76 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.863 -1.148 . . . . 0.0 112.662 174.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.1 -13.45 59.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.033 0.933 . . . . 0.0 112.308 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.2 mt -94.21 8.5 41.5 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.688 1.595 . . . . 0.0 112.995 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.6 p -89.37 -169.82 2.63 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.176 1.39 . . . . 0.0 112.505 -172.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -92.36 2.24 56.76 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.574 1.949 . . . . 0.0 115.101 -171.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -130.42 123.83 30.72 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.317 1.447 . . . . 0.0 109.396 169.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.4 pt -68.32 -13.74 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.493 1.117 . . . . 0.0 113.097 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.9 t -55.21 -30.99 61.07 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.948 1.299 . . . . 0.0 113.89 -171.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -63.73 -34.05 77.02 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.151 0.887 . . . . 0.0 111.309 176.422 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.06 -38.76 14.14 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.998 1.319 . . . . 0.0 111.762 176.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.0 -40.95 74.96 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.67 0.788 . . . . 0.0 113.085 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -71.1 -30.42 66.51 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.798 -1.188 . . . . 0.0 111.759 175.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.411 ' SG ' HD13 ' A' ' 56' ' ' ILE . 41.3 t -67.77 -37.56 82.26 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.323 1.049 . . . . 0.0 111.264 169.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.7 89.15 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.252 1.021 . . . . 0.0 112.6 171.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.47 -40.82 97.87 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.108 1.322 . . . . 0.0 112.266 170.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -67.98 -24.38 65.13 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.244 1.018 . . . . 0.0 113.249 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.3 mt -75.2 -45.45 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.847 0.859 . . . . 0.0 109.987 168.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -24.7 57.71 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.492 1.517 . . . . 0.0 113.87 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -56.03 -28.83 59.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.476 1.51 . . . . 0.0 114.331 169.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -115.21 -32.38 5.69 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.469 1.508 . . . . 0.0 112.886 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -143.57 83.66 1.77 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.111 1.765 . . . . 0.0 110.551 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -51.67 -40.25 59.69 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -170.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -141.93 -3.54 1.1 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.512 1.525 . . . . 0.0 113.037 169.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.77 -16.93 61.15 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.303 1.841 . . . . 0.0 114.431 -167.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.22 -4.91 55.05 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.819 1.248 . . . . 0.0 113.703 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 -124.66 139.84 53.49 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.036 1.334 . . . . 0.0 113.002 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -87.43 -32.69 19.38 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.471 1.108 . . . . 0.0 112.522 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.29 -20.59 63.28 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.841 1.21 . . . . 0.0 113.111 175.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -80.33 -66.57 0.86 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 117.85 0.825 . . . . 0.0 111.122 168.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -62.87 -25.95 68.54 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -170.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -81.46 -9.91 59.61 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -137.21 -45.96 0.56 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -174.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.0 m -68.69 -19.76 64.39 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.14 1.376 . . . . 0.0 114.355 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -80.99 -13.97 58.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.065 0.946 . . . . 0.0 112.336 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.47 -47.55 1.97 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 125.457 1.504 . . . . 0.0 112.781 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.4 m -165.37 151.4 9.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.533 1.533 . . . . 0.0 112.1 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 81.2 mt -120.64 153.06 56.47 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 125.343 1.457 . . . . 0.0 112.186 174.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.42 155.11 60.44 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.925 3.083 . . . . 0.0 110.769 172.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -83.08 149.13 27.1 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 122.228 1.013 . . . . 0.0 111.784 171.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.92 0.29 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 127.082 2.153 . . . . 0.0 112.7 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.0 m -64.34 -12.68 44.68 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -171.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.4 p -89.56 -8.97 51.54 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.036 1.734 . . . . 0.0 114.117 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.0 m . . . . . 0 C--O 1.252 1.19 0 C-N-CA 126.181 1.792 . . . . 0.0 112.523 -173.847 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 N-CA-C 111.914 -0.475 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -156.76 163.77 38.87 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.801 1.64 . . . . 0.0 112.513 -172.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 m -108.35 131.77 54.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.672 1.189 . . . . 0.0 110.659 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -96.35 155.56 16.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.228 1.811 . . . . 0.0 110.578 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -94.92 159.71 14.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.035 1.334 . . . . 0.0 108.722 168.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.31 -48.72 76.11 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.41 1.005 . . . . 0.0 112.292 -172.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.3 p -64.08 -30.58 71.64 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.15 -45.72 54.53 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.272 0.939 . . . . 0.0 111.391 173.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.1 -49.61 75.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.249 1.419 . . . . 0.0 111.813 174.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.7 t -49.08 -46.32 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.004 0.921 . . . . 0.0 110.52 173.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -69.09 -42.79 75.69 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.84 0.856 . . . . 0.0 113.24 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.19 -40.14 96.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.283 1.033 . . . . 0.0 111.322 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -73.24 -38.31 66.07 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 121.259 -0.901 . . . . 0.0 112.116 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -57.97 -40.03 79.62 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.839 -0.538 . . . . 0.0 111.856 171.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -66.96 -37.25 83.93 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.999 0.92 . . . . 0.0 112.38 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -87.5 4.58 42.89 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -174.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.25 35.94 6.46 Favored Glycine 0 N--CA 1.472 1.058 0 C-N-CA 124.471 1.034 . . . . 0.0 114.589 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -98.65 138.66 35.51 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.819 1.248 . . . . 0.0 109.74 174.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -72.68 134.76 45.22 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.62 0.768 . . . . 0.0 111.8 -174.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.33 -28.86 68.48 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -77.81 -17.52 57.36 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.1 mt -101.4 -11.64 19.22 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.229 1.412 . . . . 0.0 112.669 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.4 tpp -53.53 -42.59 67.6 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.082 1.353 . . . . 0.0 112.692 -173.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -55.4 -49.76 71.51 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.178 0.991 . . . . 0.0 112.04 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.03 -43.79 98.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.954 1.301 . . . . 0.0 110.795 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -66.96 -50.24 62.95 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.19 0.996 . . . . 0.0 112.909 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -65.76 -33.96 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.57 1.077 . . . . 0.0 111.699 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -69.77 -43.77 71.51 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.482 0.583 . . . . 0.0 111.503 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.3 -52.37 63.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.522 1.129 . . . . 0.0 110.616 170.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.21 -40.88 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.661 0.784 . . . . 0.0 111.958 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -63.35 -39.32 94.2 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -83.29 -16.67 45.36 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -90.89 -56.84 3.03 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.465 1.106 . . . . 0.0 112.003 174.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 m -126.67 3.93 6.76 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m 60.09 25.36 14.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.571 1.548 . . . . 0.0 113.688 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 mtm-85 68.82 24.84 6.41 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.109 1.764 . . . . 0.0 113.266 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -116.95 120.19 37.65 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.124 1.77 . . . . 0.0 110.83 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.0 p -69.37 -26.41 64.65 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 119.09 -0.481 . . . . 0.0 112.224 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -76.12 -3.83 38.23 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -74.84 140.56 44.0 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.956 -1.09 . . . . 0.0 113.317 -172.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.4 p -143.2 155.83 44.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.273 1.829 . . . . 0.0 111.881 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -150.53 130.49 13.39 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.19 1.396 . . . . 0.0 111.305 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.6 m -86.16 142.86 28.33 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.444 1.098 . . . . 0.0 109.918 176.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -102.11 157.01 17.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.306 1.443 . . . . 0.0 111.717 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -63.21 -22.6 66.97 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.179 0.991 . . . . 0.0 113.095 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -84.93 2.8 41.18 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.785 1.634 . . . . 0.0 113.689 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.25 -2.87 85.47 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.602 1.572 . . . . 0.0 115.781 172.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.3 p -86.35 163.83 17.43 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.834 1.254 . . . . 0.0 111.65 171.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -125.03 151.12 46.02 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.423 1.089 . . . . 0.0 111.288 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -101.91 145.62 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.525 1.93 . . . . 0.0 110.041 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -143.91 148.11 34.95 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.194 1.398 . . . . 0.0 113.137 -171.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.9 -177.96 49.3 Favored Glycine 0 N--CA 1.468 0.772 0 O-C-N 121.596 -0.69 . . . . 0.0 113.794 172.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -14.21 61.21 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 -168.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.77 15.23 17.52 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.845 1.258 . . . . 0.0 111.458 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 45.2 57.62 4.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.1 1.76 . . . . 0.0 111.745 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.4 mt -82.77 133.62 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.83 1.252 . . . . 0.0 109.917 -172.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -95.72 137.6 34.57 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -169.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -65.18 -13.41 58.14 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -175.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -89.01 -13.36 38.98 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.007 0.923 . . . . 0.0 112.926 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -130.65 -61.85 0.94 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -168.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -101.73 -51.97 3.31 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.685 0.794 . . . . 0.0 112.698 -167.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.4 p -101.35 169.08 9.12 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.329 1.452 . . . . 0.0 112.754 172.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.3 t -117.19 132.35 56.66 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.043 1.737 . . . . 0.0 112.108 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -83.95 -10.92 57.57 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 177.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.13 -159.98 17.13 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.29 0.948 . . . . 0.0 113.281 -169.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.55 -8.02 55.67 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -150.91 151.24 29.57 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 125.444 1.497 . . . . 0.0 111.576 -171.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -67.59 147.15 75.87 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.209 2.606 . . . . 0.0 109.755 169.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.95 29.23 0.02 OUTLIER Glycine 0 N--CA 1.475 1.292 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 -171.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -119.01 -168.87 1.63 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.264 1.425 . . . . 0.0 110.723 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.54 -29.24 66.18 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -168.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.6 m -104.52 7.69 35.33 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.1 t30 54.24 49.67 18.1 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.903 1.681 . . . . 0.0 112.749 171.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.3 p -149.77 143.99 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.331 1.452 . . . . 0.0 110.248 -171.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -94.41 134.47 36.89 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.079 1.352 . . . . 0.0 110.913 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.6 m -48.03 -36.6 13.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.068 1.747 . . . . 0.0 113.886 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -69.81 -31.61 69.6 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -73.01 -10.46 59.83 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 120.549 -1.345 . . . . 0.0 112.272 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 mt -81.21 -14.73 57.22 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.465 -0.772 . . . . 0.0 112.283 170.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.7 mt -95.05 7.85 44.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.498 1.519 . . . . 0.0 112.932 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.7 t -80.47 -178.28 6.61 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.528 1.531 . . . . 0.0 111.95 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -92.35 10.87 28.01 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.42 1.488 . . . . 0.0 113.88 -170.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -135.27 127.12 29.38 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.102 1.761 . . . . 0.0 108.179 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.3 pt -68.77 -13.95 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 124.807 1.243 . . . . 0.0 113.048 -174.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t -52.21 -37.34 54.69 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.302 1.841 . . . . 0.0 114.462 -170.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -63.65 -32.03 73.38 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.279 0.632 . . . . 0.0 112.369 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -41.35 13.89 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.898 1.279 . . . . 0.0 111.298 174.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.66 97.09 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.584 1.154 . . . . 0.0 113.117 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.62 -33.27 72.42 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.12 -0.987 . . . . 0.0 112.714 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 25.4 t -67.36 -38.49 84.87 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.954 0.902 . . . . 0.0 111.222 171.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.89 -35.22 77.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.447 1.099 . . . . 0.0 113.078 173.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -61.64 -40.5 95.12 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.359 1.436 . . . . 0.0 112.636 171.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -69.52 -20.9 63.69 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.529 -0.732 . . . . 0.0 112.925 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 92.3 mt -77.88 -48.65 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.281 -0.887 . . . . 0.0 109.719 168.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -28.67 62.66 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.928 1.291 . . . . 0.0 114.027 178.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -58.62 -23.75 59.6 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.971 2.108 . . . . 0.0 114.193 172.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -115.81 -34.18 4.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.874 1.67 . . . . 0.0 112.567 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -144.68 82.92 1.69 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.888 2.075 . . . . 0.0 110.176 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.586 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -41.61 -43.89 2.9 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.213 1.805 . . . . 0.0 114.31 -171.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -144.46 -4.42 0.78 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.307 1.843 . . . . 0.0 112.767 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -12.84 60.03 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.627 1.971 . . . . 0.0 113.944 -167.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.42 -5.86 55.6 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.961 1.304 . . . . 0.0 113.602 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -121.62 137.27 54.81 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.45 1.5 . . . . 0.0 112.276 -174.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -83.95 -37.09 22.73 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -170.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -65.18 -28.91 74.11 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 123.781 0.705 . . . . 0.0 112.398 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -66.18 -45.36 81.14 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -81.49 -15.92 53.5 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -95.28 -29.09 14.67 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.471 1.108 . . . . 0.0 113.844 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -126.94 -46.07 1.56 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 55.3 m -69.92 -7.19 38.37 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -172.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -74.04 -23.28 59.37 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.132 0.973 . . . . 0.0 112.682 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.83 -39.75 7.43 Favored Glycine 0 N--CA 1.471 1.0 0 C-N-CA 123.959 0.79 . . . . 0.0 113.588 -176.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.9 t -169.87 152.43 4.46 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.478 1.511 . . . . 0.0 111.414 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.4 mt -120.93 149.34 50.72 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.991 1.716 . . . . 0.0 111.417 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -73.58 166.31 30.13 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 124.001 3.134 . . . . 0.0 112.198 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.13 144.68 38.27 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.145 0.978 . . . . 0.0 112.552 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.1 pt -128.07 -4.91 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.867 1.667 . . . . 0.0 113.401 171.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 96.0 p -69.13 -16.12 63.58 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.802 -1.186 . . . . 0.0 113.245 -178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.9 m -84.65 -3.44 58.51 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.128 1.371 . . . . 0.0 113.67 170.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.642 1.577 . . . . 0.0 112.419 -173.474 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.304 0 N-CA-C 112.244 -0.342 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -157.72 163.5 38.08 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.189 1.796 . . . . 0.0 112.494 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -106.3 134.11 49.96 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.827 1.251 . . . . 0.0 110.427 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -99.07 156.44 16.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.225 1.81 . . . . 0.0 110.628 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.7 t -95.63 159.63 14.9 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.863 1.265 . . . . 0.0 108.571 168.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.13 -45.64 79.5 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.285 0.948 . . . . 0.0 111.959 -175.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.5 m -61.33 -35.83 78.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.5 -44.25 51.04 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 124.188 0.899 . . . . 0.0 111.527 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.74 -48.8 77.63 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.043 1.337 . . . . 0.0 111.875 176.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.2 t -49.94 -45.98 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 119.082 0.856 . . . . 0.0 110.553 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -69.18 -44.22 72.65 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.998 0.919 . . . . 0.0 113.23 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.2 -42.39 98.5 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.357 1.063 . . . . 0.0 110.993 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.51 -40.23 70.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.887 0.875 . . . . 0.0 112.219 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -56.36 -40.95 75.35 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 118.272 0.487 . . . . 0.0 111.845 172.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -72.33 -26.37 61.91 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.944 0.898 . . . . 0.0 113.253 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -92.34 6.14 47.98 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.192 1.397 . . . . 0.0 114.187 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.96 23.03 21.59 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.741 1.162 . . . . 0.0 115.321 169.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -89.15 137.6 32.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.431 1.116 . . . . 0.0 109.923 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -74.6 136.52 42.03 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.683 0.793 . . . . 0.0 111.974 -174.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.36 -27.85 67.72 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -79.25 -19.11 51.44 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 175.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.0 mt -97.49 -17.2 19.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.006 1.322 . . . . 0.0 112.391 175.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.1 tpp -49.25 -44.44 43.71 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.164 1.786 . . . . 0.0 113.536 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -56.95 -46.57 82.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.173 0.989 . . . . 0.0 112.912 175.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -63.88 -44.52 92.8 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.193 0.597 . . . . 0.0 111.225 173.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -64.55 -49.13 72.42 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.696 -0.669 . . . . 0.0 112.697 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 m -65.95 -35.27 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.465 1.029 . . . . 0.0 111.786 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -71.49 -41.25 69.54 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.669 0.668 . . . . 0.0 111.735 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 tt -56.38 -52.95 62.72 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.967 1.307 . . . . 0.0 110.269 169.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.96 -39.99 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.662 0.785 . . . . 0.0 112.019 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -63.19 -40.71 98.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -81.39 -18.76 44.37 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -90.0 -57.25 2.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.261 1.024 . . . . 0.0 111.938 175.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 m -125.65 5.35 7.49 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -170.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m 60.4 22.35 11.93 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.311 1.445 . . . . 0.0 113.841 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 68.41 26.46 6.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.738 1.615 . . . . 0.0 112.903 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -117.67 118.47 32.19 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.838 1.655 . . . . 0.0 111.172 -175.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.8 p -68.89 -26.24 65.01 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -74.96 -5.48 44.12 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -70.76 136.83 49.14 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.801 -1.187 . . . . 0.0 112.645 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -143.01 148.98 37.67 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.896 2.079 . . . . 0.0 111.472 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -149.54 128.76 12.83 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.86 1.264 . . . . 0.0 111.691 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -87.96 141.26 28.72 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.762 1.225 . . . . 0.0 110.252 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -102.38 157.81 16.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.479 1.512 . . . . 0.0 112.085 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -57.1 -30.57 64.48 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.641 1.176 . . . . 0.0 113.904 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -74.7 -4.4 37.18 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 126.493 1.917 . . . . 0.0 114.066 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.25 81.99 Favored Glycine 0 N--CA 1.475 1.299 0 C-N-CA 125.531 1.539 . . . . 0.0 115.217 173.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 p -89.59 163.1 15.32 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.548 1.539 . . . . 0.0 111.656 172.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -122.59 149.91 43.33 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.566 1.146 . . . . 0.0 111.158 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -100.12 144.4 29.2 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.756 2.022 . . . . 0.0 110.147 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.45 148.31 37.53 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.332 1.453 . . . . 0.0 112.726 -171.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.07 -177.34 48.4 Favored Glycine 0 N--CA 1.469 0.863 0 O-C-N 121.536 -0.727 . . . . 0.0 114.081 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -13.2 60.15 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 -168.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -115.54 15.55 16.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.864 1.266 . . . . 0.0 111.44 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 44.23 58.49 3.71 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.233 1.813 . . . . 0.0 111.794 -176.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.2 mt -83.92 132.81 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.555 1.142 . . . . 0.0 110.27 -171.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -94.15 138.88 31.69 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -169.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.14 -12.15 53.89 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -175.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -94.94 -15.38 23.64 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.327 1.051 . . . . 0.0 113.175 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -128.67 -27.5 2.58 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 116.797 2.147 . . . . 0.0 116.797 -167.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -138.47 -56.89 0.64 Allowed 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.312 0.96 . . . . 0.0 112.693 -168.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 p -97.5 168.62 10.26 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.033 1.333 . . . . 0.0 111.85 169.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.1 t -117.88 133.83 55.54 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.385 1.474 . . . . 0.0 112.136 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -83.01 -12.62 57.09 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.75 -170.73 29.53 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.177 0.894 . . . . 0.0 112.416 -174.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.64 -4.5 19.66 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -173.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.3 p -156.33 155.3 28.74 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 127.003 2.121 . . . . 0.0 110.289 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.62 151.28 69.84 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.877 2.385 . . . . 0.0 110.351 175.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.72 32.73 0.02 OUTLIER Glycine 0 N--CA 1.477 1.389 0 N-CA-C 117.697 1.839 . . . . 0.0 117.697 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -121.9 -168.86 1.78 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.191 1.396 . . . . 0.0 110.622 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.62 -23.96 63.43 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -169.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.8 m -105.95 4.04 29.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.668 1.187 . . . . 0.0 113.871 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.3 t30 54.1 50.61 16.21 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.107 1.763 . . . . 0.0 112.675 173.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.2 p -150.43 148.8 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.61 1.564 . . . . 0.0 109.863 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.2 tttt -99.92 135.55 41.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.375 1.47 . . . . 0.0 110.8 -175.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 73.9 m -49.98 -37.16 31.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.804 1.642 . . . . 0.0 114.05 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -73.64 -29.18 62.19 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.697 -0.627 . . . . 0.0 112.571 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -13.02 62.0 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.96 -1.088 . . . . 0.0 113.001 173.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.6 mt -81.89 -11.47 58.9 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.907 0.883 . . . . 0.0 112.358 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.4 mt -97.48 7.37 46.63 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.461 1.505 . . . . 0.0 113.096 -174.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.4 p -80.85 -177.12 6.22 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.051 1.34 . . . . 0.0 112.63 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.52 -8.22 59.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.545 1.538 . . . . 0.0 114.892 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -114.94 125.98 54.25 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.126 1.371 . . . . 0.0 109.61 169.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.9 pt -69.49 -14.08 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.437 1.495 . . . . 0.0 113.336 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.8 t -53.45 -33.46 54.19 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.156 1.382 . . . . 0.0 114.702 -168.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -31.89 72.94 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.166 0.893 . . . . 0.0 111.872 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.24 -40.33 16.75 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.464 1.105 . . . . 0.0 110.74 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -35.35 79.31 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.076 0.951 . . . . 0.0 113.414 -177.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -67.62 -36.34 80.62 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.844 -1.16 . . . . 0.0 112.878 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.4 t -74.01 -31.87 63.12 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.772 1.629 . . . . 0.0 111.054 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.92 93.87 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.53 1.132 . . . . 0.0 111.745 168.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -42.01 95.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.874 1.216 . . . . 0.0 112.812 172.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -66.6 -24.06 66.27 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.137 0.975 . . . . 0.0 112.901 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 80.2 mt -78.66 -47.1 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.831 0.852 . . . . 0.0 110.248 168.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -27.01 53.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.363 1.465 . . . . 0.0 113.653 176.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.29 -17.66 5.01 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.853 2.061 . . . . 0.0 115.149 169.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -130.47 -29.67 1.96 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.699 1.599 . . . . 0.0 113.216 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -140.69 82.49 1.85 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.168 1.787 . . . . 0.0 110.409 -175.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -51.05 -40.38 58.17 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -169.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -140.7 -4.83 1.21 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.542 1.537 . . . . 0.0 112.885 170.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.28 -17.49 60.85 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.456 1.902 . . . . 0.0 114.457 -167.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.78 -5.61 53.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.589 1.156 . . . . 0.0 113.718 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.7 m-90 -124.84 122.55 37.72 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.932 1.293 . . . . 0.0 111.985 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -70.8 -32.78 69.97 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -171.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.47 -30.72 78.43 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 123.83 0.729 . . . . 0.0 112.673 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -70.25 -46.33 64.64 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.029 0.915 . . . . 0.0 112.579 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -77.87 -12.36 59.97 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -98.32 -29.92 12.89 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.466 1.106 . . . . 0.0 113.897 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -124.4 -43.47 2.05 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 69.3 m -69.14 -9.09 51.1 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -75.28 -21.68 58.33 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.156 0.982 . . . . 0.0 112.651 175.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.16 -44.56 5.61 Favored Glycine 0 C--N 1.344 0.974 0 C-N-CA 124.08 0.848 . . . . 0.0 112.999 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.5 t -169.75 157.2 6.79 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.711 1.605 . . . . 0.0 111.195 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.73 150.72 53.22 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.695 1.598 . . . . 0.0 111.839 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -69.94 145.86 57.37 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.767 2.978 . . . . 0.0 110.39 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -80.78 152.22 28.4 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 122.444 1.116 . . . . 0.0 111.248 172.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.2 pt -135.85 1.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 127.317 2.247 . . . . 0.0 112.547 -172.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 99.7 p -58.2 -19.98 37.74 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.9 m -80.75 -8.67 59.74 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.124 1.37 . . . . 0.0 114.054 173.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.25 1.097 0 C-N-CA 125.803 1.641 . . . . 0.0 112.157 -175.108 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.313 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -158.38 166.07 33.16 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.139 1.776 . . . . 0.0 112.503 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 m -108.03 130.4 55.08 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.849 1.26 . . . . 0.0 110.016 175.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -94.42 158.82 15.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.955 1.702 . . . . 0.0 110.907 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -99.15 158.88 15.37 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.152 1.381 . . . . 0.0 108.597 168.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -56.07 -45.74 79.23 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.32 0.964 . . . . 0.0 111.984 -175.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.6 m -61.89 -33.46 74.26 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.13 -45.5 31.39 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 124.216 0.912 . . . . 0.0 111.421 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.23 -48.82 78.29 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.153 1.381 . . . . 0.0 111.971 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.9 t -50.42 -45.56 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.07 0.85 . . . . 0.0 110.585 174.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -69.52 -43.38 73.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.033 0.933 . . . . 0.0 113.268 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.47 -38.79 91.2 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.762 1.225 . . . . 0.0 111.248 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.77 -40.5 55.19 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.814 0.846 . . . . 0.0 112.268 176.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -55.84 -41.29 74.06 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.366 0.53 . . . . 0.0 111.609 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -66.41 -39.26 88.88 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.412 1.885 . . . . 0.0 112.423 173.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -85.03 -1.32 56.69 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -176.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.03 39.94 3.67 Favored Glycine 0 N--CA 1.472 1.092 0 C-N-CA 124.74 1.162 . . . . 0.0 114.509 172.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -104.2 139.22 39.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.2 1.4 . . . . 0.0 109.518 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -76.87 137.9 39.44 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.398 0.679 . . . . 0.0 111.898 -172.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.25 -26.85 68.04 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -82.31 -15.43 52.94 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.9 mt -100.31 -13.99 18.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.877 1.271 . . . . 0.0 112.344 173.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.2 tpp -51.47 -44.35 62.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.383 1.473 . . . . 0.0 112.961 -174.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -55.76 -48.03 75.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.123 0.969 . . . . 0.0 112.558 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -61.31 -46.44 90.27 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.703 0.801 . . . . 0.0 110.576 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -65.41 -49.4 69.38 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.948 0.899 . . . . 0.0 112.715 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.2 m -65.91 -34.11 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 119.319 0.963 . . . . 0.0 111.761 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -72.17 -42.12 66.26 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.637 0.653 . . . . 0.0 111.942 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.63 -53.07 59.62 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.507 1.523 . . . . 0.0 110.347 169.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 t -60.82 -42.05 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.784 0.834 . . . . 0.0 111.584 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -64.12 -30.42 71.48 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -85.28 -22.23 28.67 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -91.55 -55.46 3.49 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.092 0.957 . . . . 0.0 112.337 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.8 p -111.43 -16.32 13.36 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.3 m 66.99 28.49 8.46 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.721 1.208 . . . . 0.0 111.588 -166.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 74.5 29.76 1.15 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.372 1.869 . . . . 0.0 112.347 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -117.65 115.36 24.92 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.05 1.34 . . . . 0.0 111.964 -173.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.9 p -69.44 -26.46 64.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 122.096 -0.378 . . . . 0.0 111.591 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.2 m -74.94 -2.36 26.68 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -71.85 142.93 49.58 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 121.064 -1.022 . . . . 0.0 113.315 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.3 p -153.15 150.74 29.39 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 127.984 2.513 . . . . 0.0 111.197 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -157.32 123.01 4.67 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.138 1.775 . . . . 0.0 110.292 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 m -89.92 137.51 32.27 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.712 1.205 . . . . 0.0 110.267 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -106.01 162.67 13.4 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.212 1.405 . . . . 0.0 112.595 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -64.07 -24.17 67.6 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.538 1.135 . . . . 0.0 113.304 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.86 -14.98 61.61 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.59 1.556 . . . . 0.0 113.783 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.8 -1.37 74.79 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.451 1.5 . . . . 0.0 114.127 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.4 p -81.25 173.73 12.21 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.873 1.269 . . . . 0.0 111.728 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -143.9 153.39 42.26 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.87 1.268 . . . . 0.0 111.184 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.79 148.81 26.13 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.701 0.8 . . . . 0.0 110.924 169.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -143.0 139.11 30.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.105 1.362 . . . . 0.0 112.17 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.85 -172.45 53.11 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 115.872 1.109 . . . . 0.0 115.872 168.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.77 -19.19 62.73 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -169.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.05 14.55 17.12 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.009 1.724 . . . . 0.0 111.542 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 56.04 49.06 16.43 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.521 1.929 . . . . 0.0 111.447 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.421 HD13 ' SG ' ' A' ' 90' ' ' CYS . 7.2 mt -80.0 134.43 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 124.389 1.076 . . . . 0.0 110.136 -169.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -101.08 136.27 41.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.558 0.694 . . . . 0.0 112.524 -171.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -64.79 -12.23 45.43 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.086 1.884 . . . . 0.0 116.086 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -81.94 -18.52 43.27 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.517 1.127 . . . . 0.0 112.804 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -131.0 -59.41 0.99 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -167.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -102.55 -51.8 3.24 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.785 0.834 . . . . 0.0 113.158 -166.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.0 p -100.8 167.71 10.12 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.215 1.406 . . . . 0.0 112.911 172.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -114.83 131.21 56.9 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.765 1.626 . . . . 0.0 112.121 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -84.85 -10.35 57.24 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.11 -159.78 19.96 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.413 1.006 . . . . 0.0 113.369 -170.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.88 -2.28 32.68 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.2 p -158.19 153.69 22.42 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.229 1.411 . . . . 0.0 112.105 -172.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -69.94 146.89 60.42 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.447 2.765 . . . . 0.0 110.233 171.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.2 29.98 0.02 OUTLIER Glycine 0 N--CA 1.475 1.299 0 N-CA-C 117.321 1.688 . . . . 0.0 117.321 -171.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -119.34 -168.91 1.66 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.383 1.473 . . . . 0.0 110.773 175.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.75 -26.06 63.62 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -168.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 65.6 m -107.19 5.9 28.18 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.66 1.184 . . . . 0.0 113.944 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 54.16 50.18 17.08 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.941 1.696 . . . . 0.0 112.753 172.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.2 p -150.25 143.49 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.25 1.42 . . . . 0.0 110.397 -172.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -92.26 134.6 34.74 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.946 1.298 . . . . 0.0 111.182 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 72.5 m -48.63 -36.19 15.31 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.232 1.813 . . . . 0.0 114.142 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -68.99 -33.3 73.46 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.8 -9.73 58.99 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.758 -1.214 . . . . 0.0 112.478 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -81.41 -14.74 56.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.905 0.775 . . . . 0.0 112.439 171.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 mt -96.02 10.94 35.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.258 1.423 . . . . 0.0 113.095 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -85.58 -178.33 6.64 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.715 1.606 . . . . 0.0 112.204 -176.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -86.75 -6.57 58.79 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -171.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -117.68 126.46 52.53 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.154 1.382 . . . . 0.0 109.252 168.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.2 pt -68.29 -14.01 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.69 1.196 . . . . 0.0 113.336 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.7 t -51.95 -37.51 53.13 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.984 1.714 . . . . 0.0 114.489 -169.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.59 -32.62 74.14 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.27 0.628 . . . . 0.0 112.114 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.74 -38.94 16.46 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.997 1.319 . . . . 0.0 111.539 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.12 86.01 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.375 1.07 . . . . 0.0 113.244 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.45 -32.26 71.09 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.784 -1.198 . . . . 0.0 112.489 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.421 ' SG ' HD13 ' A' ' 56' ' ' ILE . 38.2 t -67.87 -36.99 81.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.068 0.947 . . . . 0.0 111.264 170.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.37 85.56 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.147 0.979 . . . . 0.0 112.7 171.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -63.78 -41.76 97.89 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.529 1.513 . . . . 0.0 112.331 170.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -63.67 -26.83 68.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.861 0.864 . . . . 0.0 112.761 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 86.8 mt -75.98 -49.22 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.731 0.812 . . . . 0.0 111.013 168.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -27.75 62.59 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.881 1.272 . . . . 0.0 113.504 -178.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -57.67 -22.18 44.4 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.985 1.714 . . . . 0.0 114.949 169.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -115.66 -36.27 4.28 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.545 1.538 . . . . 0.0 112.267 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -141.13 81.15 1.77 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.093 1.757 . . . . 0.0 110.661 -173.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -42.24 33.47 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -169.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -139.61 -7.74 1.28 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.113 1.365 . . . . 0.0 113.052 169.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.04 -13.92 61.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.68 1.192 . . . . 0.0 113.978 -172.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.01 -7.84 53.92 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 172.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -126.84 107.9 10.53 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.893 1.277 . . . . 0.0 112.58 -174.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -52.19 -35.26 48.64 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.928 1.691 . . . . 0.0 113.024 169.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.01 -13.76 49.81 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 125.215 1.388 . . . . 0.0 114.102 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -96.84 -56.9 2.42 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.839 1.32 . . . . 0.0 112.401 168.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -70.31 -16.47 63.01 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -172.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -113.14 -9.07 13.54 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 175.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -139.64 -8.28 1.26 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 -170.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 96.5 m -103.44 1.71 32.85 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.637 1.108 . . . . 0.0 113.921 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -86.15 -21.38 27.59 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -170.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.08 -36.43 11.13 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.787 0.708 . . . . 0.0 113.441 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.2 t -171.98 154.16 3.41 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.31 1.844 . . . . 0.0 110.802 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 87.9 mt -117.87 151.28 48.57 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.647 1.579 . . . . 0.0 111.603 175.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -70.2 151.37 66.54 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.742 2.961 . . . . 0.0 110.714 174.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -79.11 148.9 32.22 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 122.236 1.017 . . . . 0.0 111.822 171.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.3 pt -129.1 -0.24 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.999 2.12 . . . . 0.0 112.735 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.4 m -63.58 -17.65 63.07 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -174.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.5 m -83.98 -6.93 59.51 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.153 1.381 . . . . 0.0 113.836 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--O 1.254 1.312 0 C-N-CA 125.673 1.589 . . . . 0.0 112.164 -174.711 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.332 0 N-CA-C 112.174 -0.37 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -160.09 168.65 25.05 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.657 1.983 . . . . 0.0 112.607 -174.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 m -115.73 132.79 56.53 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.771 1.229 . . . . 0.0 110.51 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.37 162.28 13.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.489 1.516 . . . . 0.0 111.688 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.3 t -104.47 160.51 14.86 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.593 1.557 . . . . 0.0 107.99 166.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -57.39 -44.12 84.22 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.364 0.984 . . . . 0.0 111.997 -174.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m -63.41 -25.44 68.28 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 176.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.77 -48.34 6.69 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.459 1.028 . . . . 0.0 111.201 171.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.14 -46.26 88.04 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.402 1.081 . . . . 0.0 112.436 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.09 -45.0 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 119.378 0.99 . . . . 0.0 110.514 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -70.39 -42.33 71.85 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.21 1.004 . . . . 0.0 113.057 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.07 -42.14 98.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.498 1.119 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -73.66 -39.47 64.44 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.914 0.886 . . . . 0.0 112.137 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -56.19 -41.43 75.55 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.983 0.513 . . . . 0.0 111.738 172.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -69.84 -31.83 69.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.857 1.263 . . . . 0.0 112.662 174.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -87.96 -0.53 57.13 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.941 1.459 . . . . 0.0 114.941 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.77 35.53 5.84 Favored Glycine 0 N--CA 1.472 1.044 0 C-N-CA 124.501 1.048 . . . . 0.0 114.272 172.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -91.31 149.06 21.91 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.109 0.955 . . . . 0.0 111.316 173.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -72.0 122.35 20.71 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.846 1.658 . . . . 0.0 110.316 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.18 -27.65 69.11 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -175.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -81.2 -14.44 57.54 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 mt -103.6 -5.5 22.6 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.617 1.167 . . . . 0.0 113.179 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.3 tpp -52.05 -44.01 64.05 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.598 1.159 . . . . 0.0 112.541 -174.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -54.83 -48.62 72.6 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.634 1.174 . . . . 0.0 112.332 173.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -61.42 -46.53 89.75 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.077 1.351 . . . . 0.0 110.698 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -65.62 -50.0 66.63 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.65 1.18 . . . . 0.0 112.714 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.8 m -64.93 -34.98 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.021 0.828 . . . . 0.0 111.501 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -71.52 -41.97 68.55 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.769 0.713 . . . . 0.0 112.104 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.53 -53.8 49.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.793 1.237 . . . . 0.0 110.303 170.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.96 -40.75 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.448 0.699 . . . . 0.0 112.037 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.03 -22.37 66.98 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -101.62 -14.09 17.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -89.45 -55.84 3.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.273 1.029 . . . . 0.0 111.562 172.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.5 p -114.49 -15.79 12.0 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m 68.92 26.52 5.78 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.871 1.269 . . . . 0.0 111.345 -166.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 71.08 32.01 2.37 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.155 2.182 . . . . 0.0 113.006 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -113.53 115.13 27.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.776 1.231 . . . . 0.0 111.478 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.5 p -70.04 -25.58 63.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 119.261 -0.4 . . . . 0.0 111.908 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -78.3 -2.4 37.85 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -68.84 142.31 54.88 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.225 -0.922 . . . . 0.0 113.094 -172.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.6 p -153.42 145.2 23.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.505 2.322 . . . . 0.0 111.379 -176.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -156.14 127.11 6.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.781 1.632 . . . . 0.0 110.542 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.6 m -81.66 137.18 35.47 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.3 1.04 . . . . 0.0 110.495 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -99.48 160.68 14.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.717 1.607 . . . . 0.0 112.217 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.42 -23.91 67.61 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.44 1.096 . . . . 0.0 113.363 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -80.11 -4.46 52.97 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.402 1.481 . . . . 0.0 114.135 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.56 -3.47 85.13 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.227 1.394 . . . . 0.0 114.369 -177.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 p -79.68 178.91 7.82 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.551 1.54 . . . . 0.0 111.791 169.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -142.21 160.86 39.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.958 1.303 . . . . 0.0 110.644 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.21 148.3 23.69 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.282 1.033 . . . . 0.0 110.691 169.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -142.63 133.82 26.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.256 1.422 . . . . 0.0 111.488 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.55 -173.14 51.12 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 116.016 1.166 . . . . 0.0 116.016 169.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.35 -19.91 63.85 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -168.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -115.28 17.17 16.71 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.083 1.753 . . . . 0.0 111.194 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 55.61 46.37 22.93 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.072 1.749 . . . . 0.0 111.589 171.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.0 mt -77.26 133.33 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.456 1.102 . . . . 0.0 109.627 -169.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -101.13 140.29 35.64 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.594 0.712 . . . . 0.0 112.643 -173.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.81 -9.03 25.01 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.173 1.389 . . . . 0.0 114.322 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -86.41 -18.34 32.01 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.335 1.454 . . . . 0.0 113.145 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -131.6 -35.17 1.31 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -167.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -139.67 -40.17 0.45 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -167.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.8 p -102.15 169.15 8.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.08 0.952 . . . . 0.0 113.565 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.4 t -113.71 129.44 56.57 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.634 1.574 . . . . 0.0 111.082 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -89.14 -9.53 50.64 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.94 -159.04 21.31 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.663 1.125 . . . . 0.0 112.958 -173.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.89 2.02 24.92 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 t -159.95 143.9 10.64 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.46 1.104 . . . . 0.0 111.903 -171.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.68 150.95 79.61 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.415 2.743 . . . . 0.0 111.102 172.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 161.63 93.03 0.09 OUTLIER Glycine 0 N--CA 1.468 0.828 0 O-C-N 122.085 -0.385 . . . . 0.0 112.897 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -167.26 -175.16 2.83 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 129.055 2.942 . . . . 0.0 109.502 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -56.24 -23.56 36.77 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.554 1.142 . . . . 0.0 114.035 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 64.3 m -109.9 -1.85 17.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.221 1.409 . . . . 0.0 114.626 176.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 49.98 54.98 10.13 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.873 1.669 . . . . 0.0 113.538 173.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.1 144.03 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.571 1.148 . . . . 0.0 111.334 -172.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -97.1 135.26 39.33 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.135 1.374 . . . . 0.0 110.965 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.2 m -47.99 -37.71 15.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.772 1.629 . . . . 0.0 114.178 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -69.17 -33.57 73.6 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.62 -11.2 60.73 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.787 -1.195 . . . . 0.0 112.667 174.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.7 mt -81.36 -14.66 56.99 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.509 -0.745 . . . . 0.0 112.643 173.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.4 mt -97.57 8.91 43.77 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.249 1.42 . . . . 0.0 113.395 -176.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -85.11 -177.57 6.57 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.862 1.665 . . . . 0.0 112.31 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -85.73 -6.5 59.11 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -172.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -116.37 124.75 50.85 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.305 1.442 . . . . 0.0 109.655 169.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.5 pt -68.54 -14.97 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.632 1.173 . . . . 0.0 113.443 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.1 t -53.91 -33.26 56.12 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -169.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.45 -33.41 75.87 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.391 0.541 . . . . 0.0 111.605 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.65 -38.8 17.98 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.937 1.295 . . . . 0.0 111.525 173.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.22 75.77 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.041 0.936 . . . . 0.0 113.423 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -71.59 -30.13 65.47 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.716 -1.24 . . . . 0.0 112.427 173.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.2 t -67.31 -37.82 83.96 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.309 0.644 . . . . 0.0 110.956 169.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.28 93.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.163 0.985 . . . . 0.0 112.684 172.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -61.33 -40.97 96.2 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.195 1.361 . . . . 0.0 112.188 170.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -67.95 -21.9 65.06 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.301 1.04 . . . . 0.0 113.371 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 90.7 mt -79.86 -44.64 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.186 0.994 . . . . 0.0 110.326 168.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -25.89 56.26 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.313 1.445 . . . . 0.0 113.851 177.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -55.7 -26.64 46.06 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.487 1.515 . . . . 0.0 114.355 169.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.3 mtt85 -114.04 -37.97 4.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.503 1.521 . . . . 0.0 112.642 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -143.66 94.42 2.6 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.605 1.562 . . . . 0.0 110.758 -176.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -54.47 -39.7 67.73 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -171.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -142.93 -16.48 0.69 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.068 1.347 . . . . 0.0 113.561 176.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.38 -11.29 60.21 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -171.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.81 -7.3 47.46 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.212 1.005 . . . . 0.0 113.603 171.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.3 m-90 -125.3 127.75 47.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.419 1.488 . . . . 0.0 111.85 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -78.44 -32.82 48.74 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -170.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.6 -29.2 74.52 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.216 0.912 . . . . 0.0 112.593 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -64.25 -55.9 18.34 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.037 0.919 . . . . 0.0 112.072 172.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -69.74 -19.17 63.54 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -93.75 -28.07 16.14 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -130.55 -14.57 3.66 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -174.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.9 m -114.1 1.6 14.66 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 -169.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -33.05 59.33 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -171.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.17 -24.98 8.58 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.48 1.038 . . . . 0.0 114.777 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -153.31 138.54 17.45 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.241 1.416 . . . . 0.0 111.374 -171.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.9 mt -127.11 152.62 76.1 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 125.595 1.558 . . . . 0.0 112.03 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.43 156.1 62.32 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 124.307 3.338 . . . . 0.0 112.106 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -77.77 142.89 38.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.091 0.956 . . . . 0.0 111.63 170.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.9 pt -132.78 -0.82 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.678 1.991 . . . . 0.0 112.876 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.6 p -66.54 -13.51 61.07 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.2 m -82.18 -8.09 59.64 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.919 1.288 . . . . 0.0 113.837 170.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.672 1.589 . . . . 0.0 112.102 -176.28 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.084 0 N-CA-C 111.983 -0.447 . . . . 0.0 111.983 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -156.67 162.98 39.81 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.88 1.672 . . . . 0.0 112.573 -171.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 m -108.5 132.91 53.34 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.707 1.203 . . . . 0.0 110.614 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -98.83 155.66 17.26 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.935 1.694 . . . . 0.0 110.778 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.4 t -93.88 161.34 14.35 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.764 1.226 . . . . 0.0 108.544 168.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -56.62 -46.61 80.83 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.363 0.983 . . . . 0.0 111.866 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.3 m -60.29 -37.91 81.96 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.582 -0.699 . . . . 0.0 112.815 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.66 -45.6 65.51 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.168 0.89 . . . . 0.0 111.63 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.35 -49.33 75.98 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.074 1.349 . . . . 0.0 111.919 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.6 t -50.37 -45.63 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.757 0.823 . . . . 0.0 110.449 174.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -69.2 -41.44 77.11 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.28 -41.89 99.05 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.61 1.164 . . . . 0.0 111.007 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.3 mt -72.5 -38.54 68.09 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.147 0.979 . . . . 0.0 112.154 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -58.23 -39.94 80.42 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.925 -0.484 . . . . 0.0 112.006 172.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -68.69 -36.46 78.53 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.655 0.782 . . . . 0.0 112.43 172.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -84.66 -4.23 58.91 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -174.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.89 36.26 3.75 Favored Glycine 0 N--CA 1.474 1.179 0 C-N-CA 124.597 1.094 . . . . 0.0 114.681 170.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -102.29 138.09 39.68 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.24 1.416 . . . . 0.0 109.205 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -75.8 140.06 42.12 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.917 0.487 . . . . 0.0 111.895 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -63.23 -23.55 67.48 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -84.25 -17.15 40.68 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 mt -98.25 -13.93 20.55 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.43 1.092 . . . . 0.0 112.748 172.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.7 tpp -51.59 -44.0 62.65 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.432 1.493 . . . . 0.0 112.997 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -54.8 -50.12 69.32 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.127 0.971 . . . . 0.0 112.326 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.92 -43.34 99.05 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.643 1.177 . . . . 0.0 110.916 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -66.62 -51.08 60.31 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.139 0.976 . . . . 0.0 112.87 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -65.78 -33.5 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.452 1.024 . . . . 0.0 111.796 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 t -71.01 -42.4 69.62 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.54 0.609 . . . . 0.0 111.733 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tt -55.64 -52.66 63.05 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.465 1.106 . . . . 0.0 110.279 170.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -60.09 -42.16 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.823 0.849 . . . . 0.0 111.851 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.66 -39.54 94.23 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 176.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -82.92 -13.17 56.57 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -94.58 -60.26 1.75 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.529 1.131 . . . . 0.0 112.047 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -112.41 -9.51 13.83 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -172.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m 66.87 22.34 10.22 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.406 1.482 . . . . 0.0 113.056 -169.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 72.65 27.66 2.26 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.826 1.65 . . . . 0.0 112.205 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -119.1 118.63 31.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.131 1.373 . . . . 0.0 111.203 -176.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -68.63 -26.13 65.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 119.14 -0.457 . . . . 0.0 111.885 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -77.7 -5.68 51.35 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -71.7 143.77 49.55 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.994 -1.066 . . . . 0.0 112.431 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 74.5 p -144.44 160.55 40.89 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.844 1.658 . . . . 0.0 111.819 174.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -149.49 131.85 15.61 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.246 1.418 . . . . 0.0 111.083 177.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.2 m -89.57 148.5 23.33 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.914 1.286 . . . . 0.0 110.382 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -115.47 158.36 22.66 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.628 1.571 . . . . 0.0 111.695 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.91 -24.6 67.92 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.582 1.153 . . . . 0.0 113.7 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -73.85 -13.9 60.99 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.112 1.365 . . . . 0.0 113.859 174.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.63 -1.36 68.78 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.384 1.469 . . . . 0.0 114.065 -175.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.6 p -78.27 161.37 27.31 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.3 1.05 . . . . 0.0 111.479 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -131.75 153.2 50.32 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.542 1.137 . . . . 0.0 110.727 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -102.21 143.99 31.31 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.367 1.867 . . . . 0.0 109.799 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -141.78 145.76 35.13 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.553 1.141 . . . . 0.0 113.456 -170.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.62 -175.5 53.24 Favored Glycine 0 N--CA 1.467 0.753 0 CA-C-O 122.054 0.808 . . . . 0.0 114.14 170.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -20.68 66.5 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -168.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -108.22 9.6 28.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.557 1.143 . . . . 0.0 111.677 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 50.72 56.54 7.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.782 1.633 . . . . 0.0 111.555 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.1 mt -81.23 132.37 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 125.608 1.563 . . . . 0.0 109.469 -171.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.09 137.15 35.57 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.501 0.667 . . . . 0.0 112.68 -170.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -66.22 -12.14 54.31 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -81.59 -26.55 34.83 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.529 1.132 . . . . 0.0 112.558 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -123.74 -34.46 3.03 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 -167.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -134.35 -37.3 0.87 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -167.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.4 p -108.94 162.21 14.43 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.13 0.972 . . . . 0.0 112.684 169.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.8 t -105.25 131.72 52.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.308 1.443 . . . . 0.0 111.82 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.21 -8.08 59.64 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 174.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.55 -161.89 20.05 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.83 1.205 . . . . 0.0 113.71 -170.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.98 -3.02 42.91 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.344 1.058 . . . . 0.0 113.743 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.3 p -157.41 154.67 26.07 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 125.836 1.654 . . . . 0.0 111.328 -172.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -69.77 152.76 69.36 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.436 2.757 . . . . 0.0 110.602 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.86 69.22 0.04 OUTLIER Glycine 0 N--CA 1.472 1.086 0 N-CA-C 114.317 0.487 . . . . 0.0 114.317 -171.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -149.64 -178.13 6.26 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.103 2.161 . . . . 0.0 110.425 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.64 -25.86 60.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.815 1.246 . . . . 0.0 113.554 172.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.3 m -103.33 -1.69 28.29 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.2 t30 52.31 54.23 11.07 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.882 1.673 . . . . 0.0 113.112 172.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.1 p -149.86 146.0 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.708 1.203 . . . . 0.0 111.161 -172.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -99.07 137.79 37.1 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.804 1.642 . . . . 0.0 110.848 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 68.0 m -51.16 -36.93 43.5 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.043 1.337 . . . . 0.0 113.923 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -70.13 -31.43 68.95 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -72.05 -11.4 60.74 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.621 -1.3 . . . . 0.0 112.307 173.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.5 mt -80.98 -15.36 56.44 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.472 -0.767 . . . . 0.0 112.399 171.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 mt -94.99 7.68 45.29 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.488 1.515 . . . . 0.0 112.99 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.4 t -80.67 -178.37 6.73 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.486 1.514 . . . . 0.0 112.11 -177.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -92.67 11.41 26.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.608 1.563 . . . . 0.0 113.781 -170.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -135.12 126.64 28.72 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.352 1.861 . . . . 0.0 108.147 169.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.3 pt -69.58 -14.14 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.263 1.025 . . . . 0.0 113.03 -174.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.0 t -54.44 -36.13 63.71 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.361 1.464 . . . . 0.0 114.007 -169.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.9 -32.74 73.15 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.263 -0.898 . . . . 0.0 112.235 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.17 -39.29 15.63 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.752 1.221 . . . . 0.0 111.626 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.71 85.07 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.182 0.993 . . . . 0.0 113.239 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.47 -32.94 73.29 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.819 -1.176 . . . . 0.0 112.416 175.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 45.3 t -66.45 -40.04 89.19 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.747 0.819 . . . . 0.0 110.915 170.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.95 83.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.209 1.004 . . . . 0.0 112.844 172.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -62.97 -42.36 99.81 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.613 1.551 . . . . 0.0 112.591 170.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.58 -24.3 67.05 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.437 -0.79 . . . . 0.0 112.856 176.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 91.9 mt -76.74 -48.63 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.484 -0.76 . . . . 0.0 110.548 168.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.05 -28.73 58.68 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.931 1.292 . . . . 0.0 113.755 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -56.44 -25.36 50.29 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.614 1.566 . . . . 0.0 114.945 170.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.4 mtt85 -115.4 -32.98 5.43 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.786 1.634 . . . . 0.0 112.79 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -145.08 82.47 1.66 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.829 2.052 . . . . 0.0 110.119 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.578 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -42.24 -43.49 3.44 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 126.157 1.783 . . . . 0.0 114.171 -171.645 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -145.69 -3.57 0.7 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.547 1.939 . . . . 0.0 112.773 174.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.51 -15.75 59.8 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.329 1.852 . . . . 0.0 113.88 -167.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.99 -5.7 52.12 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.977 1.311 . . . . 0.0 113.808 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.5 m-90 -118.63 146.12 44.9 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.501 1.52 . . . . 0.0 112.419 -174.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -90.4 -39.88 12.39 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.98 0.912 . . . . 0.0 113.36 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.4 -29.14 73.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 123.687 0.66 . . . . 0.0 112.37 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -66.56 -44.66 81.71 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -82.22 -17.86 44.61 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.19 -24.58 17.45 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -131.72 -45.54 0.97 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.5 m -70.46 -7.24 41.88 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -172.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -74.79 -24.89 58.72 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.068 0.947 . . . . 0.0 112.523 173.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.14 -46.96 3.99 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.132 0.873 . . . . 0.0 113.02 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.5 m -153.18 142.63 21.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.868 1.267 . . . . 0.0 111.672 -173.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.6 mt -118.95 149.73 47.28 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.641 1.576 . . . . 0.0 110.945 171.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.67 161.18 40.01 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.729 2.953 . . . . 0.0 111.276 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -78.83 149.73 32.46 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.869 0.867 . . . . 0.0 112.123 172.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 44.6 pt -131.36 -4.0 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 126.551 1.94 . . . . 0.0 113.279 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.2 m -70.16 -9.5 55.84 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.702 -1.249 . . . . 0.0 113.903 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.1 p -85.46 -10.3 56.32 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.823 1.649 . . . . 0.0 113.918 169.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.0 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.905 1.682 . . . . 0.0 112.282 -174.755 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.338 0 N-CA-C 112.126 -0.389 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -157.81 166.82 31.71 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.228 1.811 . . . . 0.0 112.706 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.4 m -110.43 137.12 48.56 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.096 1.358 . . . . 0.0 110.502 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -102.98 159.82 15.17 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.768 1.627 . . . . 0.0 111.396 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.5 t -101.26 163.82 12.09 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.374 1.47 . . . . 0.0 108.304 166.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -58.1 -48.03 81.42 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.938 0.79 . . . . 0.0 112.008 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.65 -38.13 83.81 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.629 -0.669 . . . . 0.0 112.797 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.58 -47.2 86.36 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 123.913 0.768 . . . . 0.0 111.557 174.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.9 tp -64.29 -47.13 80.67 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.917 -1.039 . . . . 0.0 112.149 176.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.2 t -49.39 -46.17 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 119.419 1.008 . . . . 0.0 110.421 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -69.77 -42.5 73.75 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.974 0.91 . . . . 0.0 113.153 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.11 -37.84 88.77 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.417 1.087 . . . . 0.0 111.869 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.2 mt -74.02 -38.15 64.14 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.573 0.749 . . . . 0.0 112.026 174.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.84 -39.31 80.87 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 121.912 -0.493 . . . . 0.0 111.836 171.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -66.17 -31.19 71.88 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.637 1.175 . . . . 0.0 112.783 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -97.09 5.46 50.25 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.431 1.492 . . . . 0.0 114.621 -173.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.81 37.48 6.4 Favored Glycine 0 N--CA 1.472 1.097 0 C-N-CA 124.32 0.962 . . . . 0.0 114.481 171.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -101.34 137.78 39.22 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.908 1.283 . . . . 0.0 109.503 172.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -77.23 140.49 40.11 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.551 0.74 . . . . 0.0 111.596 -173.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -64.75 -24.3 67.52 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -82.24 -15.99 51.15 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.959 0.904 . . . . 0.0 113.38 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.8 mt -98.22 -19.32 17.92 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.813 1.245 . . . . 0.0 112.283 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.1 tpp -49.43 -45.32 46.25 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.108 1.763 . . . . 0.0 113.484 -174.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -56.73 -43.97 81.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.231 1.012 . . . . 0.0 113.045 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -65.53 -47.17 76.82 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.173 0.589 . . . . 0.0 110.943 173.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -62.05 -49.02 77.64 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.518 0.727 . . . . 0.0 112.843 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 m -66.51 -36.59 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.299 0.954 . . . . 0.0 111.709 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -68.58 -38.96 81.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.727 0.694 . . . . 0.0 111.878 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.78 -52.71 63.11 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.39 1.476 . . . . 0.0 110.598 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.01 -38.69 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.574 -0.704 . . . . 0.0 112.082 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -68.79 -31.13 69.91 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.569 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -34.79 60.54 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.826 1.194 . . . . 0.0 111.651 173.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -76.98 -69.06 0.55 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.247 1.019 . . . . 0.0 111.296 -173.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.7 p -107.89 -10.91 15.45 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -175.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.4 m 68.34 28.59 6.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.689 1.595 . . . . 0.0 111.802 -168.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 67.96 34.34 4.23 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.375 1.87 . . . . 0.0 112.65 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -117.93 113.97 22.5 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.805 0.842 . . . . 0.0 111.804 -177.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 p -69.02 -26.57 65.06 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 122.318 -0.238 . . . . 0.0 111.441 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.0 m -73.81 -6.33 46.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.357 1.063 . . . . 0.0 113.681 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -76.08 143.34 41.39 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.218 -0.926 . . . . 0.0 112.889 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.2 p -148.75 161.49 41.67 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.177 2.191 . . . . 0.0 110.494 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -158.61 131.45 7.14 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.238 1.015 . . . . 0.0 111.755 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m -82.51 135.79 35.03 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.34 1.056 . . . . 0.0 110.178 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.428 HD21 ' ND2' ' A' ' 57' ' ' ASN . 78.4 m-20 -91.75 158.53 16.31 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.018 1.327 . . . . 0.0 111.907 178.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -63.8 -22.22 66.8 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.29 1.036 . . . . 0.0 113.429 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -93.41 8.03 42.14 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.672 1.589 . . . . 0.0 113.892 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.04 -7.23 82.01 Favored Glycine 0 N--CA 1.477 1.411 0 C-N-CA 125.311 1.434 . . . . 0.0 115.608 172.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.0 p -77.53 173.24 12.22 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.842 1.257 . . . . 0.0 111.622 169.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -130.85 164.99 23.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.686 1.194 . . . . 0.0 110.803 174.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.28 150.78 26.85 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.815 1.646 . . . . 0.0 110.315 169.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -145.77 143.02 29.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.353 1.461 . . . . 0.0 113.235 -172.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.32 -178.96 51.06 Favored Glycine 0 N--CA 1.468 0.784 0 O-C-N 121.537 -0.727 . . . . 0.0 114.812 169.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.96 -28.34 68.91 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 115.724 1.75 . . . . 0.0 115.724 -168.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -101.87 8.24 41.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.388 1.075 . . . . 0.0 111.992 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 56.94 54.28 7.22 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.012 1.725 . . . . 0.0 110.659 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.9 mt -84.5 137.2 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.276 1.83 . . . . 0.0 110.684 -169.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' ND2' HD21 ' A' ' 44' ' ' ASN . 34.5 m120 -98.02 141.28 31.17 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -172.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -67.81 -9.93 48.49 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -102.7 -3.1 27.03 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.057 1.743 . . . . 0.0 112.796 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -132.55 -39.31 1.01 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 -169.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -144.29 -40.59 0.27 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -168.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 p -104.5 167.73 9.55 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.936 0.895 . . . . 0.0 112.47 169.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.64 139.84 51.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.935 1.294 . . . . 0.0 112.253 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -100.88 -8.4 22.58 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -170.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.08 -154.55 9.68 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.409 1.004 . . . . 0.0 112.944 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.43 -1.27 26.24 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.6 p -158.79 155.87 25.7 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.178 1.391 . . . . 0.0 112.299 -171.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -71.41 159.35 51.81 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.494 2.796 . . . . 0.0 110.669 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.69 71.16 0.03 OUTLIER Glycine 0 N--CA 1.472 1.082 0 O-C-N 121.905 -0.497 . . . . 0.0 114.093 -175.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -151.82 -178.3 6.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.247 2.219 . . . . 0.0 110.649 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.2 -24.63 67.33 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.081 0.952 . . . . 0.0 113.101 175.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.84 -4.11 31.14 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.895 1.278 . . . . 0.0 114.061 173.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.9 t30 51.32 53.0 13.66 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.09 1.756 . . . . 0.0 113.349 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.1 p -150.36 142.56 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.546 1.138 . . . . 0.0 111.326 -171.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -92.85 135.58 34.01 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.327 1.451 . . . . 0.0 111.263 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.4 m -48.1 -37.77 16.07 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.222 1.809 . . . . 0.0 114.213 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -72.25 -30.41 64.85 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.75 -20.88 64.39 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.745 -1.222 . . . . 0.0 112.281 174.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.45 -14.85 61.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.626 0.77 . . . . 0.0 112.604 175.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.2 mt -95.0 7.39 46.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.56 1.544 . . . . 0.0 113.1 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.4 p -78.05 176.73 8.91 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.155 1.382 . . . . 0.0 112.271 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.94 -4.04 57.75 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.605 1.562 . . . . 0.0 114.861 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -116.91 123.93 48.21 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.283 1.433 . . . . 0.0 109.253 169.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.5 pt -66.59 -14.68 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.276 1.03 . . . . 0.0 113.223 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.7 t -53.33 -35.49 60.27 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.434 1.494 . . . . 0.0 114.316 -169.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -61.87 -35.62 78.85 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.577 -0.702 . . . . 0.0 111.865 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.05 -38.35 17.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.131 1.372 . . . . 0.0 111.804 175.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.36 -42.03 79.77 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.436 1.094 . . . . 0.0 113.042 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -67.76 -32.71 73.49 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.746 -1.221 . . . . 0.0 112.212 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.99 -38.24 82.44 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.744 0.818 . . . . 0.0 111.101 170.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.77 88.37 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.145 0.978 . . . . 0.0 112.739 171.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -61.77 -42.41 98.95 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.343 1.429 . . . . 0.0 112.164 169.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.05 -22.51 64.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.737 0.815 . . . . 0.0 113.08 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 85.3 mt -78.13 -45.17 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.494 -0.753 . . . . 0.0 110.22 168.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -30.25 63.14 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.777 1.231 . . . . 0.0 113.464 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -58.1 -28.58 64.75 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.703 1.601 . . . . 0.0 114.171 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -98.04 -44.07 6.79 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.727 1.611 . . . . 0.0 110.891 176.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -151.16 98.68 2.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.29 2.236 . . . . 0.0 110.485 -174.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -51.86 -40.91 61.36 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -170.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -143.84 -13.4 0.65 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.062 1.345 . . . . 0.0 113.636 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.57 -13.95 62.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.84 1.256 . . . . 0.0 114.038 -172.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.23 -7.54 47.54 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.57 1.148 . . . . 0.0 113.989 174.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 -125.24 124.7 42.25 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.377 1.471 . . . . 0.0 111.164 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -71.77 -38.89 70.28 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -167.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.57 -22.1 74.92 Favored Glycine 0 N--CA 1.474 1.191 0 C-N-CA 123.886 0.755 . . . . 0.0 113.616 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -66.64 -43.55 84.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.603 1.202 . . . . 0.0 111.129 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -86.33 -15.36 40.78 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -98.8 -31.09 12.05 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -127.2 -42.46 1.7 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -171.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.6 m -72.38 -7.77 51.46 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -73.62 -22.89 59.87 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.992 0.917 . . . . 0.0 112.854 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.64 -33.13 31.68 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 118.769 0.713 . . . . 0.0 113.576 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 m -172.41 143.16 1.37 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 127.288 2.235 . . . . 0.0 110.378 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -110.94 149.42 40.4 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.05 1.34 . . . . 0.0 110.847 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -70.12 148.33 62.49 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.418 2.745 . . . . 0.0 110.632 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -77.3 146.91 36.53 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 122.274 1.035 . . . . 0.0 111.424 171.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.4 pt -130.39 0.81 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.826 2.05 . . . . 0.0 112.641 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.3 m -61.8 -17.89 57.88 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -173.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.1 m -85.78 -6.97 59.03 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.116 1.367 . . . . 0.0 113.837 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.724 1.61 . . . . 0.0 111.96 -176.216 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -155.4 166.48 33.42 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.755 1.622 . . . . 0.0 112.564 -173.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.7 m -109.14 134.64 51.45 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.698 1.199 . . . . 0.0 110.731 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -101.75 156.5 17.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.47 1.908 . . . . 0.0 110.527 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -95.85 161.13 14.14 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.819 1.248 . . . . 0.0 108.577 168.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.19 -45.94 79.6 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.449 1.022 . . . . 0.0 111.876 -175.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.17 -38.13 82.27 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.05 -44.55 60.54 Favored Glycine 0 N--CA 1.468 0.796 0 C-N-CA 124.058 0.837 . . . . 0.0 111.576 176.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.54 -49.81 73.84 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.15 1.38 . . . . 0.0 111.955 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.2 t -50.04 -45.15 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 123.859 0.863 . . . . 0.0 110.491 174.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -69.42 -43.38 73.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.223 1.009 . . . . 0.0 113.709 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.84 -38.44 90.79 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.824 1.25 . . . . 0.0 111.365 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.2 mt -74.21 -42.15 60.23 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.987 0.915 . . . . 0.0 111.993 175.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -55.68 -42.84 75.71 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.582 0.628 . . . . 0.0 111.67 172.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -63.55 -39.35 94.17 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.43 1.892 . . . . 0.0 112.258 172.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -84.94 8.9 16.0 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.322 1.449 . . . . 0.0 114.365 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.34 25.79 27.47 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.902 1.239 . . . . 0.0 115.226 169.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -87.88 139.64 30.31 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.676 1.238 . . . . 0.0 109.89 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -75.64 136.62 40.44 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.763 0.825 . . . . 0.0 111.859 -175.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.38 -27.72 67.65 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -78.94 -19.61 51.32 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.8 mt -96.9 -19.0 19.14 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.796 1.238 . . . . 0.0 112.33 175.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.6 tpp -47.95 -45.46 31.16 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.345 1.858 . . . . 0.0 113.203 -175.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -56.74 -46.95 81.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.3 1.04 . . . . 0.0 113.118 175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -63.92 -44.24 93.51 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.399 0.545 . . . . 0.0 111.192 174.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -64.17 -49.18 73.07 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.574 0.749 . . . . 0.0 112.969 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 m -66.69 -33.51 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 119.224 0.92 . . . . 0.0 111.834 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.4 t -71.35 -43.21 67.39 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.408 0.549 . . . . 0.0 111.893 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -53.46 -53.92 44.41 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.494 1.517 . . . . 0.0 110.345 169.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.95 -42.37 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.762 0.825 . . . . 0.0 111.89 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -63.71 -35.12 79.52 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -85.15 -18.35 34.43 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -88.19 -61.2 1.77 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.028 0.931 . . . . 0.0 111.877 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.3 p -113.5 -8.62 13.35 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m 61.2 30.83 19.48 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.409 1.084 . . . . 0.0 112.69 -169.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 mtm-85 73.25 28.5 1.82 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.079 1.752 . . . . 0.0 112.558 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -119.92 117.5 28.26 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.492 1.517 . . . . 0.0 111.427 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.8 p -69.36 -24.76 63.93 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 119.019 -0.515 . . . . 0.0 112.287 -178.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -78.82 -4.48 49.68 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -73.1 143.08 47.5 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.995 -1.065 . . . . 0.0 112.938 -172.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.6 p -142.57 151.62 41.74 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.095 1.758 . . . . 0.0 111.826 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -145.73 131.84 19.36 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.715 1.606 . . . . 0.0 110.487 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.2 m -104.56 144.34 31.83 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.227 1.411 . . . . 0.0 110.518 -173.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -113.6 161.42 17.45 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.698 1.599 . . . . 0.0 112.403 -172.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -61.4 -25.67 67.34 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.901 1.28 . . . . 0.0 113.939 -176.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -81.01 -5.73 57.94 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.17 0.43 80.48 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.923 1.249 . . . . 0.0 114.293 -175.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.2 p -79.21 158.57 27.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.691 1.197 . . . . 0.0 111.724 170.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -136.68 148.49 47.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.685 1.194 . . . . 0.0 110.927 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -101.95 140.58 36.04 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.464 1.905 . . . . 0.0 110.207 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -138.71 150.84 46.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.975 1.31 . . . . 0.0 112.918 -169.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.12 -178.39 49.24 Favored Glycine 0 N--CA 1.468 0.823 0 O-C-N 121.449 -0.782 . . . . 0.0 113.944 171.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -24.61 67.87 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -169.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -102.06 5.35 40.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.313 1.045 . . . . 0.0 111.95 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 50.36 63.82 2.05 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.037 1.735 . . . . 0.0 111.261 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.407 ' CG2' ' HB2' ' A' ' 61' ' ' TRP . 10.5 mt -86.57 131.99 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.595 1.558 . . . . 0.0 109.774 -173.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -90.82 138.7 31.38 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -67.75 -13.0 61.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -86.57 -26.05 24.69 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.876 0.871 . . . . 0.0 112.635 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -115.97 -35.01 4.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.744 2.128 . . . . 0.0 116.744 -167.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.407 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 57.1 m95 -140.69 -34.04 0.53 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -167.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.3 p -111.1 163.51 13.8 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.448 1.022 . . . . 0.0 112.683 168.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.2 t -106.82 133.93 50.74 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.751 1.621 . . . . 0.0 111.886 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.96 -8.45 59.16 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 175.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.98 -160.52 18.31 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.905 1.241 . . . . 0.0 114.372 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.19 -9.15 59.49 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.261 1.024 . . . . 0.0 113.665 176.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.2 m -146.19 152.64 47.36 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.886 1.674 . . . . 0.0 111.154 -176.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -66.8 154.69 73.65 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.366 2.711 . . . . 0.0 110.487 169.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.46 69.51 0.04 OUTLIER Glycine 0 N--CA 1.473 1.11 0 N-CA-C 114.723 0.649 . . . . 0.0 114.723 -171.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -150.3 -177.46 5.96 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.058 2.143 . . . . 0.0 110.517 178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -58.32 -26.06 62.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.605 1.162 . . . . 0.0 113.183 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 52.9 m -102.04 -3.26 27.94 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.081 1.352 . . . . 0.0 114.477 176.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.5 t30 51.73 54.91 10.14 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.799 1.64 . . . . 0.0 113.334 173.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.3 p -150.55 148.03 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.018 1.327 . . . . 0.0 110.813 -173.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -102.44 137.99 39.95 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.574 1.549 . . . . 0.0 111.347 -177.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 67.3 m -51.19 -37.51 47.01 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.608 1.563 . . . . 0.0 114.267 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.2 t -71.24 -32.31 68.61 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.57 -15.24 62.27 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.823 -1.173 . . . . 0.0 112.617 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.94 -13.94 60.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.803 0.841 . . . . 0.0 112.687 172.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.6 mt -93.98 9.87 35.78 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.449 1.5 . . . . 0.0 112.769 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 43.1 p -75.46 174.83 9.12 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.745 1.618 . . . . 0.0 112.135 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -88.94 8.07 31.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.785 1.234 . . . . 0.0 113.842 -173.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -132.33 125.92 32.07 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.877 1.671 . . . . 0.0 107.854 168.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.9 pt -66.03 -12.54 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 124.934 1.294 . . . . 0.0 113.389 -173.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -53.91 -35.44 61.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.002 1.721 . . . . 0.0 114.728 -169.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -63.47 -34.75 78.46 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.302 0.956 . . . . 0.0 112.221 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.81 -39.41 20.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.551 1.14 . . . . 0.0 111.317 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.5 87.92 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.19 0.996 . . . . 0.0 113.474 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -68.12 -34.12 75.79 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.955 -1.091 . . . . 0.0 112.371 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 41.2 t -67.38 -39.21 85.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.598 0.759 . . . . 0.0 111.074 170.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.29 -35.62 76.0 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.12 0.968 . . . . 0.0 112.733 172.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -64.35 -44.02 92.78 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.454 1.479 . . . . 0.0 112.677 170.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -66.39 -24.71 66.52 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.554 -0.716 . . . . 0.0 112.719 176.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 91.2 mt -74.47 -49.1 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.655 -0.653 . . . . 0.0 110.083 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -30.36 63.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.745 1.218 . . . . 0.0 113.671 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -56.5 -26.5 54.63 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.928 1.691 . . . . 0.0 114.387 169.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -110.48 -33.86 6.48 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.394 1.878 . . . . 0.0 112.272 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -152.31 86.95 1.3 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.774 2.43 . . . . 0.0 110.398 -173.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -49.25 -42.42 40.66 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -170.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -140.09 -4.31 1.35 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.271 1.428 . . . . 0.0 112.793 169.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -12.65 60.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.358 1.863 . . . . 0.0 114.102 -168.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.31 -8.06 59.68 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.548 1.139 . . . . 0.0 113.578 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.9 m-90 -119.35 117.84 29.6 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.535 1.134 . . . . 0.0 113.297 -171.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.414 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . 1.1 m-85 -63.74 -35.1 79.48 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.267 1.827 . . . . 0.0 112.104 176.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.33 -16.89 67.74 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.424 1.488 . . . . 0.0 112.841 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -94.65 -47.55 6.46 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.268 1.027 . . . . 0.0 112.488 171.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 104' ' ' TYR . 19.2 ptpt -70.62 -17.31 62.89 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -98.77 -8.04 26.6 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -137.75 -39.92 0.56 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -170.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.5 m -76.88 -1.64 29.43 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -176.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -84.64 -21.53 30.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.32 1.048 . . . . 0.0 112.795 -174.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.23 -52.55 1.72 Allowed Glycine 0 N--CA 1.471 1.023 0 C-N-CA 124.585 1.088 . . . . 0.0 112.637 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.0 m -153.36 150.65 29.08 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.402 1.481 . . . . 0.0 111.471 -173.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.3 mt -118.93 152.68 52.06 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.345 1.458 . . . . 0.0 111.828 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -68.93 148.61 70.79 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.782 2.988 . . . . 0.0 110.701 173.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -78.88 149.55 32.41 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 122.399 1.095 . . . . 0.0 111.855 172.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.4 pt -133.19 1.05 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 127.094 2.158 . . . . 0.0 112.765 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.4 m -63.66 -12.39 33.52 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -173.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.6 p -88.63 -9.95 50.35 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.065 1.746 . . . . 0.0 114.108 172.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.2 m . . . . . 0 C--O 1.251 1.159 0 C-N-CA 126.078 1.751 . . . . 0.0 112.354 -175.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.079 0 CA-C-O 121.333 0.407 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.41 165.93 34.9 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.131 1.773 . . . . 0.0 112.418 -172.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 m -114.74 132.51 56.41 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.691 1.197 . . . . 0.0 110.763 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.68 160.41 14.33 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.679 1.592 . . . . 0.0 111.628 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 t -101.05 165.16 11.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.418 1.487 . . . . 0.0 108.458 166.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -58.18 -49.56 76.6 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.204 0.911 . . . . 0.0 112.033 -173.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.52 -38.03 83.07 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.39 -48.17 81.05 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 123.96 0.79 . . . . 0.0 111.476 174.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.45 -47.22 79.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.336 1.054 . . . . 0.0 112.325 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.0 t -49.59 -46.46 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.302 0.955 . . . . 0.0 110.305 174.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -69.68 -41.0 76.05 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.031 0.932 . . . . 0.0 113.103 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.12 -42.68 99.56 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.245 1.018 . . . . 0.0 111.13 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.2 mt -71.97 -37.68 69.85 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.893 0.877 . . . . 0.0 112.123 177.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -58.95 -42.64 90.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.3 0.64 . . . . 0.0 111.99 172.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -66.3 -34.87 78.97 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.594 0.758 . . . . 0.0 112.321 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -85.37 -1.4 56.97 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.19 18.71 18.71 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.122 1.344 . . . . 0.0 115.383 169.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -77.76 161.18 27.89 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.754 1.277 . . . . 0.0 112.17 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -82.92 125.07 30.96 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.659 1.583 . . . . 0.0 110.319 -172.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -66.7 -22.79 66.07 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -85.16 -14.21 47.67 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.159 0.983 . . . . 0.0 113.581 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.77 -9.24 19.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.306 1.042 . . . . 0.0 113.208 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.5 tpp -48.73 -43.16 37.17 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.087 1.355 . . . . 0.0 113.155 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -55.33 -51.27 67.28 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.378 1.071 . . . . 0.0 112.692 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -61.93 -42.09 98.7 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.426 0.691 . . . . 0.0 111.625 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -63.75 -50.87 67.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.451 0.7 . . . . 0.0 112.394 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.6 m -66.91 -34.47 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 119.016 0.825 . . . . 0.0 111.728 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.21 -34.63 71.03 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.854 0.686 . . . . 0.0 112.854 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.67 -55.18 25.44 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.9 1.68 . . . . 0.0 109.849 169.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -62.13 -40.9 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.705 0.802 . . . . 0.0 112.038 -175.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -63.12 -41.77 99.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.925 0.49 . . . . 0.0 112.226 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.14 -32.64 69.23 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.794 -1.191 . . . . 0.0 113.249 175.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -77.75 -61.94 1.83 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.736 0.815 . . . . 0.0 112.077 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 97.3 p -113.86 -6.24 13.23 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -175.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.8 m 64.38 26.24 13.53 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.889 1.276 . . . . 0.0 112.366 -168.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 66.38 33.11 7.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.926 1.69 . . . . 0.0 112.774 -176.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -114.05 116.24 28.86 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.917 1.287 . . . . 0.0 111.089 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -69.99 -25.98 63.86 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 119.122 -0.466 . . . . 0.0 112.054 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -76.62 -3.04 35.64 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.362 0.983 . . . . 0.0 113.331 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -75.11 144.03 43.07 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.169 0.988 . . . . 0.0 112.884 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.4 p -146.05 159.69 42.92 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.946 2.098 . . . . 0.0 110.862 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -153.66 128.97 9.79 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.637 0.775 . . . . 0.0 111.88 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -88.37 143.1 27.21 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.372 1.469 . . . . 0.0 110.946 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -104.12 159.6 15.54 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.875 1.27 . . . . 0.0 112.019 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -57.35 -31.03 65.33 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.71 1.204 . . . . 0.0 114.111 175.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -68.51 -17.06 64.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.477 1.911 . . . . 0.0 114.455 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.34 -1.25 69.4 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.952 1.263 . . . . 0.0 114.173 -173.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.2 p -77.84 168.04 20.56 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.582 1.553 . . . . 0.0 111.041 169.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -146.21 145.87 30.59 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.292 1.037 . . . . 0.0 111.655 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.71 150.31 20.51 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.605 1.562 . . . . 0.0 111.129 172.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -144.8 147.78 33.28 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.207 1.803 . . . . 0.0 112.957 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.51 -177.86 52.39 Favored Glycine 0 N--CA 1.467 0.762 0 CA-C-O 122.241 0.912 . . . . 0.0 115.114 169.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -27.88 69.6 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -169.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.17 9.54 41.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.03 0.932 . . . . 0.0 111.456 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 54.41 54.74 8.97 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.356 1.462 . . . . 0.0 110.318 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.4 mt -84.47 129.18 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.43 1.492 . . . . 0.0 110.085 -169.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -94.05 137.38 33.32 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -170.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -66.32 -12.55 57.24 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -176.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -85.81 -15.93 40.38 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.8 1.24 . . . . 0.0 113.006 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -132.9 -34.17 1.13 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 -166.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -136.67 -41.95 0.61 Allowed 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -167.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.5 p -106.37 165.49 11.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.876 0.87 . . . . 0.0 112.141 168.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -116.93 137.57 52.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.542 1.137 . . . . 0.0 112.544 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.83 -8.09 56.37 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -173.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.8 -164.8 16.46 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.603 1.097 . . . . 0.0 113.098 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.47 -8.75 58.87 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m -140.68 153.13 67.64 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 126.133 1.773 . . . . 0.0 110.961 -176.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -69.89 162.5 41.91 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.66 2.907 . . . . 0.0 111.313 173.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.16 72.51 0.03 OUTLIER Glycine 0 N--CA 1.473 1.151 0 N-CA-C 114.393 0.517 . . . . 0.0 114.393 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -153.2 -178.03 6.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.361 2.264 . . . . 0.0 110.578 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.38 -23.06 66.6 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.261 1.025 . . . . 0.0 113.12 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.7 m -101.9 -1.96 30.91 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 173.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.4 t30 52.18 53.93 11.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.992 1.717 . . . . 0.0 113.209 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.3 p -149.79 148.95 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.633 1.173 . . . . 0.0 111.447 -172.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -102.37 134.78 45.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.121 1.769 . . . . 0.0 111.37 -175.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.7 m -51.15 -37.41 46.12 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.523 1.529 . . . . 0.0 113.873 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -71.76 -32.57 67.82 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -73.83 -7.77 53.5 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.753 -1.217 . . . . 0.0 112.398 174.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.7 mt -81.23 -14.22 57.71 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.417 -0.802 . . . . 0.0 112.648 169.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.4 mt -95.06 6.12 49.97 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.122 1.369 . . . . 0.0 113.382 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 t -79.43 -179.52 6.85 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.611 1.564 . . . . 0.0 112.134 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -91.95 11.34 25.42 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.704 1.601 . . . . 0.0 113.726 -170.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -133.81 125.79 29.2 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.287 1.835 . . . . 0.0 108.352 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.6 pt -69.09 -14.89 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.242 1.017 . . . . 0.0 113.173 -175.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.6 t -54.94 -34.25 63.03 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.0 1.32 . . . . 0.0 114.005 -169.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.62 -35.45 79.61 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.274 -0.891 . . . . 0.0 112.161 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.64 -38.74 21.14 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.348 1.059 . . . . 0.0 111.483 174.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.34 78.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.276 1.031 . . . . 0.0 113.286 -175.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -67.02 -35.14 79.26 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.87 -1.144 . . . . 0.0 112.228 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.9 t -66.68 -38.96 87.86 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.849 0.86 . . . . 0.0 110.984 172.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.23 77.34 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.128 0.971 . . . . 0.0 112.69 173.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -63.44 -43.85 96.22 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.053 1.297 . . . . 0.0 112.202 171.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -68.56 -21.72 64.52 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.41 -0.806 . . . . 0.0 113.066 176.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 90.9 mt -76.24 -46.0 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.131 -0.98 . . . . 0.0 110.202 168.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -30.57 64.06 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.519 1.128 . . . . 0.0 113.382 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -58.75 -28.31 65.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.643 1.577 . . . . 0.0 114.29 169.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -97.22 -43.96 7.13 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.5 1.52 . . . . 0.0 110.967 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -151.49 99.93 2.67 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.179 2.191 . . . . 0.0 110.386 -175.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -51.11 -41.04 59.77 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -170.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -142.18 -15.67 0.77 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.766 1.226 . . . . 0.0 113.733 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.01 -13.39 61.6 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -171.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.52 -11.2 60.77 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.16 0.984 . . . . 0.0 113.55 170.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 24.6 m-90 -118.67 110.46 17.33 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.581 1.552 . . . . 0.0 111.485 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -54.29 -37.22 64.53 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.263 -1.335 . . . . 0.0 112.588 169.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -70.06 -8.73 62.06 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.64 1.114 . . . . 0.0 114.537 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -84.6 -61.26 1.83 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.136 1.468 . . . . 0.0 109.354 167.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -66.22 -9.76 35.3 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -70.79 -31.38 68.12 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.255 -0.903 . . . . 0.0 112.923 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.96 -18.17 0.12 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 118.208 2.67 . . . . 0.0 118.208 -168.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 98.7 m -71.4 -32.39 68.36 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.268 1.395 . . . . 0.0 113.288 -172.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -74.25 -11.24 60.22 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.297 1.439 . . . . 0.0 113.581 170.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.26 -48.33 4.86 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.705 1.145 . . . . 0.0 111.506 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 t -166.5 148.67 6.63 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.878 1.271 . . . . 0.0 112.08 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.8 mt -114.76 150.37 43.93 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 125.658 1.583 . . . . 0.0 111.833 174.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -72.46 156.75 53.99 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.87 3.046 . . . . 0.0 111.396 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -79.13 139.32 38.07 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.741 0.816 . . . . 0.0 111.332 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 41.6 pt -128.39 -1.3 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.2 1.8 . . . . 0.0 113.044 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.4 p -66.46 -14.49 62.3 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -172.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 55.6 m -83.88 -7.28 59.47 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.961 1.304 . . . . 0.0 113.819 170.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.688 1.595 . . . . 0.0 112.01 -176.177 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -159.27 -179.83 8.33 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.085 2.154 . . . . 0.0 111.741 -172.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.8 m -139.62 142.03 37.07 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.544 1.138 . . . . 0.0 111.148 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -114.59 158.52 21.59 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.809 1.643 . . . . 0.0 112.032 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 t -102.99 163.24 12.32 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.609 1.564 . . . . 0.0 107.875 166.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -57.5 -45.34 85.04 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.285 0.948 . . . . 0.0 111.901 -174.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.9 m -62.36 -28.65 69.91 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.19 -48.47 9.57 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 124.373 0.987 . . . . 0.0 111.279 173.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.25 -47.65 83.45 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.538 1.135 . . . . 0.0 112.232 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -50.76 -44.95 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.155 0.889 . . . . 0.0 110.576 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -69.71 -43.69 71.89 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.168 0.987 . . . . 0.0 113.122 177.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.0 -42.01 93.34 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.718 1.207 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt -73.61 -40.96 63.44 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.152 0.981 . . . . 0.0 112.194 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -55.6 -40.57 72.25 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.953 0.501 . . . . 0.0 111.773 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -72.41 -25.77 61.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.45 1.1 . . . . 0.0 113.38 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -93.04 2.42 56.78 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.298 1.439 . . . . 0.0 114.348 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.12 33.32 7.34 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 124.604 1.097 . . . . 0.0 114.349 172.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -90.83 146.83 23.61 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.263 1.032 . . . . 0.0 111.327 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -72.11 122.72 21.46 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.949 1.7 . . . . 0.0 110.487 -174.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.99 -26.46 68.86 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -174.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -81.76 -17.01 49.19 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.061 0.944 . . . . 0.0 113.519 174.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.6 mt -97.84 -11.72 22.96 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.355 1.062 . . . . 0.0 113.122 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 32.7 tpp -48.21 -42.67 30.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.536 1.534 . . . . 0.0 113.201 -174.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -55.33 -51.04 68.03 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.247 1.019 . . . . 0.0 112.675 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -63.17 -41.22 99.2 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.494 0.718 . . . . 0.0 111.448 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -64.44 -50.23 68.35 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.34 0.656 . . . . 0.0 112.588 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 m -67.42 -33.51 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 119.1 0.864 . . . . 0.0 111.821 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -71.71 -35.35 70.17 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.656 0.662 . . . . 0.0 112.702 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tt -61.86 -55.7 27.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.794 1.638 . . . . 0.0 109.673 169.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.69 -42.83 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.896 0.878 . . . . 0.0 111.946 -176.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -62.41 -38.77 90.97 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -77.64 -25.19 49.52 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.696 -1.252 . . . . 0.0 113.568 176.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -81.86 -55.57 4.52 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.564 0.746 . . . . 0.0 112.001 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -119.77 -4.53 10.21 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.864 -1.148 . . . . 0.0 113.871 -172.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 m 60.17 19.07 8.41 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.992 1.317 . . . . 0.0 113.005 -169.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 69.51 32.74 3.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.573 1.949 . . . . 0.0 113.187 -172.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -110.54 118.47 36.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.952 1.301 . . . . 0.0 109.565 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -66.88 -28.66 68.51 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 121.555 -0.715 . . . . 0.0 111.771 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 m -72.2 -8.24 53.66 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.903 1.281 . . . . 0.0 114.287 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -76.64 140.23 40.89 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.999 -1.063 . . . . 0.0 113.044 -171.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.2 p -136.52 158.21 44.97 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.802 1.641 . . . . 0.0 111.729 172.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -146.74 126.92 13.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.28 1.432 . . . . 0.0 110.709 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -93.67 137.91 32.44 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.729 1.212 . . . . 0.0 110.058 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -98.49 157.77 16.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.528 1.531 . . . . 0.0 111.781 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -63.02 -23.35 67.41 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.366 1.066 . . . . 0.0 113.239 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -85.59 3.25 41.53 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 125.659 1.584 . . . . 0.0 113.701 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.52 -1.89 84.34 Favored Glycine 0 N--CA 1.475 1.252 0 C-N-CA 125.367 1.461 . . . . 0.0 115.677 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.5 p -87.04 163.38 17.07 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.621 1.211 . . . . 0.0 111.741 171.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -129.05 149.2 50.97 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.51 1.124 . . . . 0.0 111.228 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -101.29 142.17 33.09 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.355 1.862 . . . . 0.0 109.854 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -139.81 146.89 39.99 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.75 1.22 . . . . 0.0 113.555 -169.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.55 -176.79 52.07 Favored Glycine 0 N--CA 1.469 0.894 0 O-C-N 121.613 -0.679 . . . . 0.0 114.276 170.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.15 -23.29 67.26 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -169.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -103.5 6.2 37.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.44 1.096 . . . . 0.0 112.006 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 50.95 59.4 4.64 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.702 1.601 . . . . 0.0 111.642 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.4 ' CG2' ' HB2' ' A' ' 61' ' ' TRP . 18.0 mt -85.17 135.53 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.523 1.529 . . . . 0.0 109.481 -173.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -97.11 138.71 34.2 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -169.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.12 -11.1 36.27 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -102.03 -3.94 26.84 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.413 1.485 . . . . 0.0 112.759 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -126.22 -44.68 1.72 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.4 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 69.7 m95 -142.98 -28.56 0.56 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -168.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.3 p -113.79 166.4 11.6 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.29 1.036 . . . . 0.0 112.856 169.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -110.05 131.01 55.44 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.903 1.681 . . . . 0.0 112.225 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -85.45 -10.42 56.16 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -80.87 -157.86 17.72 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.481 1.038 . . . . 0.0 113.266 -170.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.17 1.06 29.69 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 t -160.74 145.36 10.57 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.784 1.234 . . . . 0.0 111.312 -171.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -66.19 155.83 67.84 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 123.374 2.716 . . . . 0.0 111.063 171.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 167.82 74.92 0.03 OUTLIER Glycine 0 N--CA 1.472 1.065 0 O-C-N 121.896 -0.502 . . . . 0.0 113.701 -172.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -154.57 176.95 11.75 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.16 2.184 . . . . 0.0 110.641 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.93 -21.1 60.68 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.692 1.197 . . . . 0.0 113.497 171.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.6 m -106.49 -2.46 21.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.01 1.324 . . . . 0.0 113.927 174.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.0 t30 52.2 53.72 11.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.047 1.739 . . . . 0.0 113.294 171.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.73 143.76 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.554 1.142 . . . . 0.0 111.604 -171.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -96.31 135.73 37.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.912 1.685 . . . . 0.0 111.097 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.1 m -49.2 -36.85 20.91 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.054 1.742 . . . . 0.0 113.944 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.1 t -69.54 -32.59 71.49 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -71.63 -10.06 59.19 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.625 -1.297 . . . . 0.0 112.719 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.75 -14.29 54.77 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.522 -0.736 . . . . 0.0 112.365 173.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.4 mt -95.55 9.89 38.56 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.614 1.566 . . . . 0.0 113.223 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.3 t -90.66 -171.16 2.95 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.707 1.603 . . . . 0.0 112.877 -169.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -90.55 4.43 51.22 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.45 1.9 . . . . 0.0 115.206 -172.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -135.2 124.6 24.82 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.896 1.678 . . . . 0.0 109.327 169.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.1 pt -70.04 -14.4 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.973 1.309 . . . . 0.0 113.118 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.8 t -54.46 -33.0 58.81 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.643 1.577 . . . . 0.0 114.073 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.95 -34.44 77.5 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.446 0.698 . . . . 0.0 112.218 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.99 -38.02 16.99 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.786 1.234 . . . . 0.0 111.556 174.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.41 -40.78 77.12 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.899 0.879 . . . . 0.0 113.239 -176.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -70.71 -31.52 68.42 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.564 -1.335 . . . . 0.0 112.458 174.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 42.5 t -65.55 -39.96 92.32 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.615 0.766 . . . . 0.0 110.782 169.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.7 83.4 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.269 1.028 . . . . 0.0 112.89 173.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -63.64 -41.04 98.28 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.489 1.495 . . . . 0.0 112.468 170.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -68.09 -22.91 64.89 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.595 0.758 . . . . 0.0 112.935 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 93.3 mt -76.74 -49.3 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.826 0.85 . . . . 0.0 109.798 168.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -28.18 62.29 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.045 1.338 . . . . 0.0 114.038 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -58.08 -24.32 58.12 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.031 2.133 . . . . 0.0 114.212 171.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -116.05 -33.92 4.89 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.014 1.726 . . . . 0.0 112.745 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -144.23 81.62 1.68 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.855 2.062 . . . . 0.0 110.16 -174.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.575 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -41.89 -45.57 3.75 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.03 1.732 . . . . 0.0 114.132 -170.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -142.61 -3.47 1.02 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.142 1.777 . . . . 0.0 112.758 171.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.95 -15.9 61.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.202 1.801 . . . . 0.0 113.752 -167.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.96 -8.85 58.68 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.995 1.318 . . . . 0.0 113.455 175.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 24.0 m-90 -119.81 117.77 29.04 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.913 1.285 . . . . 0.0 113.014 -173.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -58.37 -39.69 80.27 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.136 1.375 . . . . 0.0 112.028 169.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.01 -6.53 45.99 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.902 1.239 . . . . 0.0 114.547 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -92.73 -65.84 0.97 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.582 1.191 . . . . 0.0 109.26 167.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -58.4 -27.56 64.39 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -172.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -69.44 -20.45 63.77 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.99 -21.96 0.21 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 116.515 2.043 . . . . 0.0 116.515 -174.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 86.9 m -68.87 -19.61 64.24 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.05 -17.58 60.46 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 173.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -92.42 -54.59 1.8 Allowed Glycine 0 C--N 1.342 0.891 0 C-N-CA 124.818 1.199 . . . . 0.0 111.895 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -153.0 140.8 20.06 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.427 1.091 . . . . 0.0 112.034 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 98.3 mt -115.21 149.74 43.19 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.269 1.428 . . . . 0.0 111.124 169.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.11 159.92 43.5 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.851 3.034 . . . . 0.0 111.286 176.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -79.32 149.23 31.82 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.903 0.858 . . . . 0.0 112.129 172.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.6 pt -132.1 -3.89 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.628 1.971 . . . . 0.0 113.285 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.6 m -69.94 -9.0 53.48 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.712 -1.242 . . . . 0.0 113.958 -175.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 p -85.01 -10.42 57.01 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.778 1.631 . . . . 0.0 113.806 169.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.1 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.958 1.703 . . . . 0.0 112.271 -175.137 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 N-CA-C 112.372 -0.291 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -159.87 162.8 34.69 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.514 1.926 . . . . 0.0 112.346 -173.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 m -111.06 132.19 54.45 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.533 1.133 . . . . 0.0 110.679 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -97.15 154.94 17.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.168 1.787 . . . . 0.0 110.628 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 t -92.39 161.78 14.52 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.558 1.143 . . . . 0.0 108.734 168.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -56.82 -47.23 80.77 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.405 1.002 . . . . 0.0 111.906 -174.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.08 -39.16 88.84 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.542 -0.724 . . . . 0.0 112.754 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.34 -44.44 93.46 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 123.849 0.737 . . . . 0.0 111.686 175.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.74 -49.31 73.54 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.076 1.35 . . . . 0.0 111.964 175.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.08 -46.01 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.901 0.88 . . . . 0.0 110.445 173.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -69.55 -43.26 73.3 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.11 0.964 . . . . 0.0 113.431 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.04 -39.3 94.33 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.332 1.053 . . . . 0.0 111.248 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.96 -38.39 64.23 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.701 0.8 . . . . 0.0 112.169 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -58.16 -39.7 79.53 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.845 -0.534 . . . . 0.0 111.929 172.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -66.64 -34.76 78.58 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.958 0.903 . . . . 0.0 112.503 172.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -91.05 5.65 48.04 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.119 1.368 . . . . 0.0 114.476 -174.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.82 34.69 7.16 Favored Glycine 0 N--CA 1.471 0.998 0 C-N-CA 124.412 1.006 . . . . 0.0 114.572 170.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -98.96 136.73 38.52 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.931 1.293 . . . . 0.0 109.299 173.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -77.11 139.44 39.97 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.31 0.644 . . . . 0.0 111.987 -172.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.38 -26.65 67.98 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -177.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -82.39 -16.87 47.53 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -97.67 -17.99 19.13 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.72 1.208 . . . . 0.0 112.325 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.2 tpp -49.21 -44.57 43.35 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.997 1.719 . . . . 0.0 113.244 -174.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -56.82 -46.27 81.75 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.247 1.019 . . . . 0.0 113.018 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -63.93 -44.59 92.41 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.212 0.605 . . . . 0.0 111.268 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -64.58 -49.51 70.89 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.437 0.695 . . . . 0.0 112.769 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -66.27 -34.33 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.358 0.981 . . . . 0.0 111.908 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -70.47 -43.64 69.38 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.76 0.709 . . . . 0.0 111.498 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -54.99 -53.01 61.16 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.95 1.3 . . . . 0.0 110.36 170.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 t -60.13 -40.4 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.559 0.744 . . . . 0.0 112.059 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.85 -40.36 97.22 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 175.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -83.36 -16.25 46.75 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -91.93 -57.1 2.84 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.31 1.044 . . . . 0.0 111.795 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 m -126.27 4.79 7.03 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -170.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 m 60.96 22.65 12.83 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.462 1.505 . . . . 0.0 114.025 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtm-85 68.1 25.37 7.46 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.71 1.604 . . . . 0.0 113.032 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -118.05 118.48 32.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.175 1.79 . . . . 0.0 111.166 -176.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -68.27 -25.38 65.13 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -75.13 -8.34 56.29 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -74.29 136.76 42.62 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 120.971 -1.08 . . . . 0.0 113.086 -172.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.5 p -139.59 155.19 47.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.865 2.066 . . . . 0.0 111.518 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -149.59 129.08 13.03 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.998 1.319 . . . . 0.0 111.62 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 m -89.2 144.17 26.3 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.977 1.311 . . . . 0.0 110.512 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -108.87 159.24 16.95 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.797 1.639 . . . . 0.0 111.931 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -62.27 -23.55 66.77 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.485 1.114 . . . . 0.0 113.371 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -77.75 -6.87 55.49 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.493 1.517 . . . . 0.0 113.998 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.3 -2.88 83.8 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.412 1.482 . . . . 0.0 114.546 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.3 p -83.75 162.84 20.53 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.939 1.296 . . . . 0.0 111.627 170.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -128.4 152.02 48.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.778 1.231 . . . . 0.0 110.933 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -100.65 143.16 31.14 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.76 2.024 . . . . 0.0 109.715 177.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -141.84 147.94 38.02 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.681 1.192 . . . . 0.0 112.992 -170.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.12 -176.9 49.14 Favored Glycine 0 CA--C 1.526 0.721 0 O-C-N 121.766 -0.584 . . . . 0.0 113.783 172.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -13.12 61.02 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 117.006 2.225 . . . . 0.0 117.006 -168.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -115.23 15.87 16.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.808 1.243 . . . . 0.0 111.551 176.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 44.5 57.13 4.6 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.132 1.773 . . . . 0.0 111.942 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.6 mt -83.1 130.95 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.415 1.086 . . . . 0.0 109.94 -171.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -93.29 138.3 31.79 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -170.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.39 -11.7 52.92 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -82.89 -18.48 40.09 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.023 0.929 . . . . 0.0 112.798 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -130.61 -59.63 1.01 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -167.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -102.16 -50.82 3.53 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -166.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.12 162.92 12.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.174 1.39 . . . . 0.0 112.439 170.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.4 t -108.74 134.94 50.78 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.61 1.964 . . . . 0.0 112.184 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -86.31 -10.91 53.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.14 -158.94 14.17 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 124.426 1.012 . . . . 0.0 114.14 -169.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.04 0.4 36.0 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.7 t -158.25 145.9 13.59 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.949 1.3 . . . . 0.0 111.209 -174.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -63.72 143.63 87.15 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.125 2.55 . . . . 0.0 110.197 169.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.98 34.7 0.03 OUTLIER Glycine 0 N--CA 1.475 1.262 0 N-CA-C 116.008 1.163 . . . . 0.0 116.008 -169.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -121.47 -173.56 2.66 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.038 1.735 . . . . 0.0 110.223 175.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.24 -28.64 63.1 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -168.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.57 7.65 35.19 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.5 t30 56.46 47.97 17.74 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.711 1.604 . . . . 0.0 112.648 170.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.7 p -150.9 143.63 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.563 1.545 . . . . 0.0 110.027 -170.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -96.25 137.27 35.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.852 1.261 . . . . 0.0 111.376 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.5 m -48.84 -36.6 17.26 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.266 1.826 . . . . 0.0 114.385 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -70.79 -31.65 68.49 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -70.39 -15.81 62.89 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.73 -1.232 . . . . 0.0 112.713 175.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.21 -13.57 59.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.103 0.961 . . . . 0.0 112.338 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 mt -94.9 10.67 34.53 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.678 1.591 . . . . 0.0 112.89 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p -87.87 -171.13 3.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.149 1.38 . . . . 0.0 112.555 -173.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -90.7 1.35 56.92 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.737 2.015 . . . . 0.0 115.092 -173.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -132.54 122.68 25.19 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.086 1.354 . . . . 0.0 109.407 169.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.6 pt -66.35 -13.5 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.915 1.686 . . . . 0.0 113.38 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.8 t -53.07 -34.13 55.12 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.94 1.696 . . . . 0.0 114.486 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -63.83 -34.17 77.32 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.658 -0.651 . . . . 0.0 111.925 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.78 -40.01 15.39 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.092 1.357 . . . . 0.0 111.335 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.76 88.93 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.16 0.984 . . . . 0.0 112.963 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.39 -33.41 74.2 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.033 -1.042 . . . . 0.0 112.616 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 36.7 t -66.2 -40.33 90.3 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.964 0.906 . . . . 0.0 110.967 171.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.1 82.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.562 1.145 . . . . 0.0 113.088 173.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -60.42 -42.5 96.14 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.444 1.475 . . . . 0.0 112.415 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -68.08 -20.61 64.96 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 87.1 mt -81.08 -43.78 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.372 -0.83 . . . . 0.0 111.056 169.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -30.05 67.98 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.235 -0.916 . . . . 0.0 112.701 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -57.77 -20.28 33.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.559 1.543 . . . . 0.0 114.954 169.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -114.74 -32.7 5.74 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.503 1.521 . . . . 0.0 112.879 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -134.63 -3.97 2.59 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -169.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . 0.318 0.0 OUTLIER 43.82 -56.18 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 131.234 3.814 . . . . 0.0 117.407 -168.074 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -142.73 -9.22 0.82 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.459 1.903 . . . . 0.0 113.501 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.98 -12.65 60.0 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.063 1.345 . . . . 0.0 114.05 -171.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.35 -6.86 46.32 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.237 1.015 . . . . 0.0 113.469 173.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -123.47 142.67 50.77 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.856 1.663 . . . . 0.0 111.647 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -85.38 -39.02 18.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -170.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.52 -29.39 75.02 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.034 0.826 . . . . 0.0 113.109 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -62.96 -40.35 97.41 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 117.979 0.89 . . . . 0.0 113.041 175.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -94.95 -15.17 23.8 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -98.23 -22.1 16.33 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.6 1.16 . . . . 0.0 113.98 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -133.03 -47.17 0.85 Allowed 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.6 m -70.3 -8.1 47.67 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 -170.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -74.6 -20.97 59.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.869 0.867 . . . . 0.0 112.913 174.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.73 -35.55 28.14 Favored Glycine 0 C--N 1.344 1.023 0 CA-C-N 118.762 0.71 . . . . 0.0 113.314 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -174.12 148.4 1.34 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.628 2.371 . . . . 0.0 110.391 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.4 mt -110.67 148.28 38.19 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.057 1.343 . . . . 0.0 110.71 170.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -71.91 150.5 55.31 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.393 2.729 . . . . 0.0 110.749 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -77.34 147.64 36.04 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 122.247 1.023 . . . . 0.0 111.457 170.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.3 pt -131.81 0.7 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.907 2.083 . . . . 0.0 112.626 -178.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 m -63.67 -13.02 38.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -173.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.3 p -89.06 -10.37 47.69 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.923 1.689 . . . . 0.0 114.13 172.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 38.9 m . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.077 1.751 . . . . 0.0 112.24 -176.279 . . . . . . . . 0 0 . 1 stop_ save_