data_2rs2_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 2rs2 _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 ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 tttt . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 81.7 mtp -143.05 137.55 29.32 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.091 1.756 . . . . 0.0 112.087 -169.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -80.05 140.17 36.62 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.901 1.68 . . . . 0.0 108.014 167.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 mm -124.02 101.14 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.44 1.096 . . . . 0.0 109.261 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.35 172.49 34.78 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 124.192 0.901 . . . . 0.0 113.201 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.87 17.96 75.72 Favored Glycine 0 CA--C 1.536 1.39 0 N-CA-C 115.378 0.911 . . . . 0.0 115.378 170.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.45 167.0 11.4 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.966 1.306 . . . . 0.0 112.205 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -82.85 153.51 25.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.408 0.683 . . . . 0.0 111.311 170.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -62.71 -12.94 27.01 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.885 -1.134 . . . . 0.0 112.693 168.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -95.12 -7.49 39.23 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.162 1.385 . . . . 0.0 113.202 174.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.6 m -71.4 138.13 48.89 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.42 1.009 . . . . 0.0 110.803 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.6 p -119.31 164.32 15.84 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.17 1.788 . . . . 0.0 109.754 172.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.3 -23.95 64.8 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.22 -35.55 71.55 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.93 -0.481 . . . . 0.0 110.566 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.71 -34.39 83.19 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.391 0.995 . . . . 0.0 112.223 172.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.35 -51.06 70.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.462 1.131 . . . . 0.0 110.688 169.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.5 ttt85 -56.44 -38.29 71.42 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.127 0.876 . . . . 0.0 112.314 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.91 -35.16 75.97 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.079 0.952 . . . . 0.0 113.062 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -87.19 -39.45 15.47 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.529 1.131 . . . . 0.0 113.304 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -83.32 -15.36 50.34 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 -174.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.92 -10.9 41.64 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.705 1.145 . . . . 0.0 114.443 171.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -73.04 -25.35 60.9 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.959 1.303 . . . . 0.0 112.605 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -102.39 -24.11 13.88 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.08 1.352 . . . . 0.0 112.404 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 168.36 167.78 29.5 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 125.646 1.593 . . . . 0.0 112.453 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -68.26 127.47 33.06 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 122.176 -0.603 . . . . 0.0 109.963 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 m -85.24 133.65 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.893 0.854 . . . . 0.0 110.768 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -83.44 -24.64 31.77 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.982 2.113 . . . . 0.0 112.757 176.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -164.13 148.43 9.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.407 1.883 . . . . 0.0 109.073 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.0 p -145.75 145.5 30.86 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.111 1.364 . . . . 0.0 110.257 171.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.8 mt -148.28 147.31 29.19 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.511 1.524 . . . . 0.0 110.944 -174.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.2 t -132.53 126.17 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.971 1.308 . . . . 0.0 107.625 168.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.4 mmt -85.98 52.85 2.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.309 1.444 . . . . 0.0 112.031 -170.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -73.06 148.71 43.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.481 1.513 . . . . 0.0 113.582 -175.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -74.68 129.65 83.18 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 125.004 1.322 . . . . 0.0 109.728 170.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.9 -10.91 12.66 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.482 2.121 . . . . 0.0 114.284 -173.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -91.51 -45.28 8.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.488 1.04 . . . . 0.0 110.776 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.0 p -102.57 -11.65 18.34 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.146 0.979 . . . . 0.0 113.194 -172.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 65.73 3.31 2.43 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.977 2.511 . . . . 0.0 113.572 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -56.78 129.01 39.46 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.532 1.533 . . . . 0.0 110.194 171.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.2 p -72.03 -6.32 41.43 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.844 1.258 . . . . 0.0 114.26 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 61.33 4.79 0.99 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.138 1.775 . . . . 0.0 112.414 -167.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.16 19.13 79.84 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 118.14 -1.367 . . . . 0.0 114.138 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -156.79 160.86 39.64 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.97 1.885 . . . . 0.0 115.061 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.71 -157.04 8.28 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.87 1.7 . . . . 0.0 113.261 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -146.06 150.54 36.16 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.734 1.613 . . . . 0.0 111.096 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.6 t -143.34 139.9 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.859 1.264 . . . . 0.0 110.057 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.3 m -119.76 139.7 51.89 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.987 1.715 . . . . 0.0 108.607 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -101.06 153.57 19.45 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.375 1.07 . . . . 0.0 111.849 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.6 mmt -65.63 -13.77 59.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.188 0.995 . . . . 0.0 113.669 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -154.53 154.26 32.81 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.088 1.755 . . . . 0.0 110.93 173.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -59.6 -25.99 65.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.622 1.169 . . . . 0.0 112.957 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -23.82 59.3 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.58 -33.04 28.91 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-N 119.082 0.855 . . . . 0.0 112.954 172.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.14 -47.39 90.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 117.848 0.824 . . . . 0.0 109.162 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -51.66 -45.52 63.42 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.488 1.115 . . . . 0.0 112.72 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -65.49 -39.07 91.48 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.99 -29.39 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.094 0.558 . . . . 0.0 111.12 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 mt -78.77 -38.57 38.27 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.297 -0.877 . . . . 0.0 112.149 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.2 -25.1 63.26 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -83.06 139.99 32.93 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.449 1.1 . . . . 0.0 111.049 176.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -83.67 -14.62 51.39 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 -169.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -159.02 148.08 18.57 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.04 1.336 . . . . 0.0 111.79 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -138.35 154.27 48.96 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.7 1.6 . . . . 0.0 110.701 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -153.91 132.44 12.11 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.289 1.036 . . . . 0.0 110.621 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -148.68 127.44 12.55 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.362 1.465 . . . . 0.0 108.98 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 57.92 38.0 26.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.883 1.673 . . . . 0.0 112.821 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.5 m 66.97 17.16 10.49 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.174 1.79 . . . . 0.0 114.173 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -117.14 131.66 56.84 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.833 1.653 . . . . 0.0 109.652 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -67.69 117.08 9.13 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.757 1.223 . . . . 0.0 108.712 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 pt -98.06 157.38 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-O 121.341 0.591 . . . . 0.0 111.114 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -129.14 78.84 75.47 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.475 1.51 . . . . 0.0 110.921 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -87.83 142.55 5.74 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.692 2.928 . . . . 0.0 111.774 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -158.27 164.22 36.65 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.758 1.623 . . . . 0.0 111.936 -170.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.55 134.21 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 O-C-N 121.1 -1.0 . . . . 0.0 110.622 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 123.973 0.909 . . . . 0.0 112.899 -177.121 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.3 tttt . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.9 mtp -138.76 136.12 35.39 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 125.676 1.59 . . . . 0.0 111.929 -172.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -81.3 138.01 35.74 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.836 1.654 . . . . 0.0 107.408 167.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.9 mm -119.41 99.55 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.108 0.963 . . . . 0.0 108.65 -175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.41 169.66 29.18 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.207 0.908 . . . . 0.0 113.237 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.45 16.66 79.89 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.009 0.814 . . . . 0.0 114.974 172.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.75 164.83 16.27 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.69 1.196 . . . . 0.0 112.653 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 t -80.1 149.6 30.56 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.623 0.769 . . . . 0.0 109.698 168.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -60.23 -13.67 13.7 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.857 -1.152 . . . . 0.0 113.578 169.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -101.51 0.46 36.63 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.003 1.321 . . . . 0.0 113.336 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.9 m -69.41 138.28 53.46 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.615 1.098 . . . . 0.0 110.045 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.1 p -117.85 162.33 18.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.896 1.678 . . . . 0.0 110.176 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.05 -24.81 64.22 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.38 -36.32 76.69 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.0 -0.437 . . . . 0.0 110.289 168.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.05 -34.92 82.77 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.477 1.037 . . . . 0.0 112.436 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.48 -51.71 68.3 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.545 1.173 . . . . 0.0 110.472 169.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -56.47 -38.77 72.16 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.003 0.82 . . . . 0.0 112.372 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.29 -35.39 77.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.056 0.942 . . . . 0.0 112.757 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -85.22 -39.62 17.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.412 1.085 . . . . 0.0 113.256 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -84.14 -16.9 41.89 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -173.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.29 -10.69 49.26 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.543 1.068 . . . . 0.0 114.375 170.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.18 -26.05 61.92 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.673 1.189 . . . . 0.0 112.491 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -103.43 -29.99 10.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.789 1.236 . . . . 0.0 112.654 -173.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.35 162.93 28.48 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 125.76 1.648 . . . . 0.0 112.143 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -67.45 128.33 36.03 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 117.319 0.56 . . . . 0.0 110.06 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 m -86.32 136.23 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 121.473 0.654 . . . . 0.0 110.84 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -84.38 -25.68 28.93 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.191 1.796 . . . . 0.0 112.603 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -166.29 146.02 6.04 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.836 2.055 . . . . 0.0 108.6 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -139.59 147.51 41.23 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.983 1.313 . . . . 0.0 110.299 171.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mt -149.74 141.93 24.08 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.052 1.341 . . . . 0.0 111.103 -172.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -127.55 125.67 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 167.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.5 mmm -91.77 54.83 2.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.191 0.996 . . . . 0.0 111.673 -168.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -74.09 157.1 36.65 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 -169.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -70.0 125.72 92.11 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 124.702 1.201 . . . . 0.0 109.071 168.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.76 -15.93 16.72 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 121.938 1.758 . . . . 0.0 113.467 -177.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.43 -48.24 12.16 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.802 0.841 . . . . 0.0 111.62 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.9 p -109.75 -8.08 14.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.524 1.53 . . . . 0.0 113.583 -169.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 67.89 2.37 3.07 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.02 2.528 . . . . 0.0 113.728 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -55.34 128.98 36.71 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.428 1.491 . . . . 0.0 110.489 172.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.9 p -63.55 -10.03 16.13 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 62.29 9.31 3.19 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.251 1.82 . . . . 0.0 112.461 -169.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.29 15.63 81.32 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 117.68 -1.622 . . . . 0.0 114.353 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -153.99 156.54 37.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.992 1.896 . . . . 0.0 115.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.14 -159.76 9.15 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.123 1.821 . . . . 0.0 112.931 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -149.12 146.29 27.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.169 1.788 . . . . 0.0 110.61 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.0 t -142.24 132.54 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.291 1.036 . . . . 0.0 110.381 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 m -110.18 142.44 41.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.751 2.02 . . . . 0.0 108.175 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -110.5 153.8 24.56 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.297 1.039 . . . . 0.0 111.984 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.9 mmt -68.02 -15.92 63.81 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.264 1.025 . . . . 0.0 113.524 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -157.52 156.23 31.67 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.099 1.76 . . . . 0.0 111.045 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -60.28 -31.06 69.88 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.507 1.123 . . . . 0.0 112.458 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.63 -19.42 57.98 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -175.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.97 -26.38 24.4 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.579 1.082 . . . . 0.0 113.598 170.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.93 -45.85 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.463 1.131 . . . . 0.0 108.941 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -42.1 80.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.692 1.197 . . . . 0.0 112.563 -177.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -63.67 -38.86 92.73 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -70.73 -30.52 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.226 0.611 . . . . 0.0 111.181 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.53 -38.6 48.43 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.499 -0.75 . . . . 0.0 111.981 173.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.59 -22.98 62.5 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -87.47 136.7 32.84 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.732 1.213 . . . . 0.0 110.78 175.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m -83.92 -9.77 58.47 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 -169.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -162.55 146.15 11.49 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.004 1.322 . . . . 0.0 111.712 -172.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -143.62 154.48 43.6 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.659 1.584 . . . . 0.0 110.722 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -152.93 132.99 13.4 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.119 0.968 . . . . 0.0 110.748 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.7 tp -150.74 132.31 14.81 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.644 1.578 . . . . 0.0 109.309 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 t70 57.15 34.8 25.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.611 1.564 . . . . 0.0 112.604 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 m 66.51 19.91 10.87 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.073 1.749 . . . . 0.0 113.725 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -120.11 135.27 55.01 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.715 1.606 . . . . 0.0 109.737 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.0 m -75.04 118.48 18.04 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.488 1.115 . . . . 0.0 108.62 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.8 pt -102.99 158.13 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.89 0.876 . . . . 0.0 111.553 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -127.69 83.48 65.96 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 125.613 1.565 . . . . 0.0 110.243 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -87.55 134.35 3.35 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.786 2.991 . . . . 0.0 110.449 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -154.42 164.49 38.56 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.284 1.434 . . . . 0.0 112.153 -169.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.89 132.51 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 121.188 -0.945 . . . . 0.0 110.999 -174.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 123.967 0.907 . . . . 0.0 112.641 -178.434 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.7 tttt . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.7 mtp -139.23 136.73 35.28 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.711 1.604 . . . . 0.0 112.152 -173.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -80.78 136.44 36.13 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.806 1.643 . . . . 0.0 107.438 167.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mm -118.44 99.22 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.02 172.99 37.4 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.111 0.862 . . . . 0.0 112.777 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.64 15.62 73.48 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.947 0.784 . . . . 0.0 114.842 172.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.58 163.34 16.37 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.418 1.087 . . . . 0.0 111.953 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.3 t -81.98 153.0 26.45 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.893 -0.504 . . . . 0.0 111.267 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.64 -9.64 14.83 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.128 -0.983 . . . . 0.0 113.014 168.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -99.45 -5.43 29.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.278 1.431 . . . . 0.0 113.489 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.4 m -71.57 142.66 50.04 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.59 1.087 . . . . 0.0 110.964 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.5 p -123.17 162.75 21.92 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.209 1.804 . . . . 0.0 110.291 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.48 -28.96 69.58 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.89 -36.46 78.09 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.217 0.462 . . . . 0.0 110.846 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.65 -34.04 86.25 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 118.993 -0.893 . . . . 0.0 112.366 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.02 -51.86 66.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.6 1.2 . . . . 0.0 110.691 169.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -56.53 -38.27 71.63 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.141 0.882 . . . . 0.0 112.348 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.51 -34.45 74.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.136 0.975 . . . . 0.0 112.854 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -88.78 -39.05 14.2 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.51 1.124 . . . . 0.0 113.295 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -84.25 -17.23 40.4 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -173.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.01 -9.94 49.36 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.578 1.085 . . . . 0.0 114.385 170.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -71.4 -25.98 62.58 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.576 1.151 . . . . 0.0 112.367 171.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -103.58 -37.45 7.54 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.009 1.323 . . . . 0.0 111.708 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.13 159.48 27.77 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.118 1.342 . . . . 0.0 112.386 174.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.76 133.08 52.86 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.905 0.482 . . . . 0.0 110.027 175.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.7 m -92.61 134.78 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.835 0.826 . . . . 0.0 111.273 -175.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -85.1 -25.22 27.66 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.041 2.136 . . . . 0.0 112.653 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -163.26 146.03 10.26 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.97 2.108 . . . . 0.0 108.294 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 p -148.16 135.03 20.08 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.261 1.425 . . . . 0.0 109.553 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.87 152.1 40.72 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.28 1.432 . . . . 0.0 111.124 -170.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -136.8 127.99 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.654 1.582 . . . . 0.0 107.1 169.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.3 mmt -90.54 49.29 1.65 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.375 1.07 . . . . 0.0 112.168 -169.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -67.32 146.13 54.41 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -74.59 132.17 78.7 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.634 1.574 . . . . 0.0 110.174 173.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.59 -12.12 12.59 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.473 2.116 . . . . 0.0 114.001 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.6 mt -90.9 -39.42 12.3 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.461 1.028 . . . . 0.0 111.567 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -109.87 -12.84 14.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.451 1.501 . . . . 0.0 113.344 -173.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 65.84 2.32 2.13 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.776 2.431 . . . . 0.0 113.599 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -57.56 130.76 47.8 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.259 1.824 . . . . 0.0 110.062 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 85.9 p -69.77 -6.1 29.88 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 62.45 7.01 2.15 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.157 1.783 . . . . 0.0 112.277 -168.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.16 14.65 82.37 Favored Glycine 0 C--N 1.341 0.851 0 C-N-CA 125.175 1.369 . . . . 0.0 114.596 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -156.27 161.07 40.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.756 1.778 . . . . 0.0 115.411 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.75 -157.01 8.05 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 126.054 1.787 . . . . 0.0 112.709 174.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -146.63 149.65 33.92 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.072 1.349 . . . . 0.0 111.159 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.9 t -141.47 133.09 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.287 1.035 . . . . 0.0 110.279 172.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.3 m -110.87 141.33 44.4 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.433 1.893 . . . . 0.0 107.933 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -108.81 153.58 23.3 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.405 1.082 . . . . 0.0 111.76 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.2 mmt -67.59 -16.23 64.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.202 1.001 . . . . 0.0 113.473 173.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -156.61 156.0 32.78 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.998 1.719 . . . . 0.0 111.14 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -62.01 -24.27 66.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.753 1.221 . . . . 0.0 113.061 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.81 -24.94 62.65 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.75 -38.35 16.76 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-N 119.188 0.904 . . . . 0.0 112.527 172.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.66 -48.63 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.897 0.879 . . . . 0.0 109.502 174.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.77 -46.2 67.47 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.682 1.193 . . . . 0.0 112.662 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -66.14 -36.66 83.71 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.04 -32.24 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.009 0.524 . . . . 0.0 111.041 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.7 mt -76.5 -37.82 56.21 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.446 -0.784 . . . . 0.0 112.081 174.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.35 -13.94 62.36 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -100.51 133.7 44.57 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.247 1.419 . . . . 0.0 110.423 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.8 m -88.14 -3.87 58.82 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -169.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.1 tpt85 -158.54 135.98 10.14 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.399 1.48 . . . . 0.0 110.925 -169.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -140.61 160.97 38.85 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.057 1.343 . . . . 0.0 110.877 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -159.49 135.17 8.54 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.936 0.894 . . . . 0.0 111.616 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -152.56 132.03 12.97 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.742 1.617 . . . . 0.0 108.588 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.9 t70 59.34 30.22 19.9 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.284 1.433 . . . . 0.0 112.296 -169.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.9 m 64.56 18.07 11.19 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.112 1.765 . . . . 0.0 113.358 -175.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -114.42 136.45 52.98 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.013 1.725 . . . . 0.0 109.821 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.6 m -77.36 109.62 11.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.054 0.941 . . . . 0.0 109.391 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.4 pt -93.81 157.52 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 121.326 0.584 . . . . 0.0 111.552 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -134.29 81.24 50.36 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 125.58 1.552 . . . . 0.0 110.525 -172.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -87.38 143.67 6.54 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.971 3.114 . . . . 0.0 111.722 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -157.65 162.15 38.65 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.57 1.548 . . . . 0.0 112.222 -170.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.01 133.57 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 121.336 -0.853 . . . . 0.0 110.657 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.676 0 C-N-CA 123.765 0.826 . . . . 0.0 111.876 179.107 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.8 tttt . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.8 mtp -142.69 138.11 30.35 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 126.291 1.837 . . . . 0.0 111.802 -171.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -81.3 138.42 35.71 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.709 1.603 . . . . 0.0 107.158 167.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 mm -118.13 105.04 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.163 0.985 . . . . 0.0 108.561 -176.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.61 166.45 21.69 Favored Glycine 0 N--CA 1.473 1.116 0 C-N-CA 124.301 0.953 . . . . 0.0 113.15 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.42 16.06 80.09 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.371 0.986 . . . . 0.0 114.951 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.32 166.1 8.61 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.441 1.121 . . . . 0.0 112.342 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -83.04 151.48 25.79 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.247 0.619 . . . . 0.0 111.005 171.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -65.3 -7.06 11.55 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 120.886 -1.134 . . . . 0.0 114.037 173.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -116.7 9.06 13.93 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.755 1.622 . . . . 0.0 113.396 173.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.0 m -67.96 140.67 56.43 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.314 0.961 . . . . 0.0 109.608 171.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.2 p -116.8 159.97 21.53 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.609 1.564 . . . . 0.0 110.281 175.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -68.18 -25.14 65.09 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.06 -36.59 75.09 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.937 -0.477 . . . . 0.0 110.549 168.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.57 -34.06 86.45 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.564 1.078 . . . . 0.0 112.376 172.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.96 -51.24 70.12 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 118.407 1.104 . . . . 0.0 111.005 169.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.6 -39.92 74.41 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.213 0.915 . . . . 0.0 112.134 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.38 -34.0 71.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.089 0.956 . . . . 0.0 112.954 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.71 -41.18 13.53 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.284 1.034 . . . . 0.0 113.363 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -81.47 -18.72 44.25 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -173.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.94 -10.81 48.22 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.654 1.121 . . . . 0.0 114.458 171.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.85 -26.9 63.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.6 1.16 . . . . 0.0 112.426 171.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -100.25 -35.61 9.57 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.38 1.472 . . . . 0.0 111.36 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.98 153.7 11.53 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 126.226 1.87 . . . . 0.0 111.24 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.86 144.85 54.26 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 117.98 0.89 . . . . 0.0 110.743 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 m -99.68 132.52 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 124.171 0.988 . . . . 0.0 110.888 -172.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -80.62 -23.79 39.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.526 1.93 . . . . 0.0 112.396 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -165.15 146.04 7.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.05 2.14 . . . . 0.0 108.481 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.98 143.6 28.55 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.742 1.217 . . . . 0.0 110.215 173.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.6 mt -148.63 145.04 27.58 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.046 1.338 . . . . 0.0 111.433 -171.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.88 127.41 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.034 1.334 . . . . 0.0 107.631 168.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.7 mmt -88.1 43.62 1.14 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.125 1.37 . . . . 0.0 112.518 -170.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -69.52 142.96 53.56 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -82.61 133.64 49.16 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 124.825 1.25 . . . . 0.0 111.337 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -73.37 -15.4 25.11 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.948 2.432 . . . . 0.0 113.456 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.24 -30.98 58.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.553 1.141 . . . . 0.0 113.555 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.7 p -136.79 -6.24 1.92 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.674 1.59 . . . . 0.0 114.174 -173.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 64.38 7.21 3.46 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.586 2.354 . . . . 0.0 113.72 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -68.93 133.57 48.38 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.851 1.26 . . . . 0.0 110.555 176.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.7 p -77.2 -9.16 58.6 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.348 1.459 . . . . 0.0 114.082 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 60.24 10.11 2.21 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.764 1.626 . . . . 0.0 112.242 -167.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.49 23.18 76.09 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-O 117.562 -1.688 . . . . 0.0 114.434 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -149.96 157.67 43.4 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.338 2.069 . . . . 0.0 116.343 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.4 -160.13 9.96 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 126.483 1.992 . . . . 0.0 112.665 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -146.94 149.14 32.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.586 1.555 . . . . 0.0 111.145 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.6 t -143.14 135.91 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.536 1.134 . . . . 0.0 110.326 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.9 m -112.84 139.53 48.4 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.074 1.75 . . . . 0.0 108.201 171.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -103.48 149.86 24.44 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.284 1.034 . . . . 0.0 111.175 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.6 mtp -69.68 -10.62 59.0 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -152.89 152.47 31.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.176 1.791 . . . . 0.0 110.766 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -60.63 -25.98 66.7 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.717 1.207 . . . . 0.0 112.781 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.23 -24.22 58.51 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.33 -35.51 26.32 Favored Glycine 0 N--CA 1.469 0.871 0 CA-C-N 119.062 0.847 . . . . 0.0 112.7 172.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.71 -48.02 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 117.89 0.845 . . . . 0.0 109.31 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.8 -44.98 63.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.338 1.055 . . . . 0.0 112.695 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -67.31 -37.61 83.64 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.61 -30.5 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.064 0.545 . . . . 0.0 111.012 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -77.78 -38.63 46.25 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.437 -0.789 . . . . 0.0 112.087 173.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.22 -19.51 63.15 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -94.11 135.81 35.07 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.009 1.324 . . . . 0.0 110.661 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m -83.19 -9.76 58.99 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -169.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -162.77 146.36 11.22 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.021 1.328 . . . . 0.0 111.618 -173.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -143.16 156.77 44.85 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.701 1.6 . . . . 0.0 110.774 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -153.43 132.57 12.63 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.312 -0.868 . . . . 0.0 111.229 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.9 tp -149.89 132.34 15.67 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.036 1.734 . . . . 0.0 108.804 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.5 t70 59.38 30.11 19.76 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.267 1.427 . . . . 0.0 112.498 -171.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m 65.14 17.29 10.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.242 1.817 . . . . 0.0 113.656 -174.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -112.86 136.1 52.88 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.795 1.638 . . . . 0.0 109.413 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.3 m -79.37 115.25 18.9 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.897 0.879 . . . . 0.0 109.124 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.1 pt -101.72 148.33 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.61 0.764 . . . . 0.0 111.247 -175.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -129.09 71.53 81.98 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 125.51 1.524 . . . . 0.0 111.286 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.04 149.27 28.53 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 124.113 3.208 . . . . 0.0 112.227 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -159.53 162.4 35.44 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.684 1.594 . . . . 0.0 112.108 -170.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.85 135.45 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 123.993 0.917 . . . . 0.0 110.889 -176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -175.069 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.9 tttt . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 81.8 mtp -143.31 139.11 29.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.309 1.844 . . . . 0.0 111.904 -171.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -84.07 138.51 33.02 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.885 1.674 . . . . 0.0 107.525 167.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.8 mm -119.61 106.04 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.124 0.97 . . . . 0.0 108.948 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.8 166.54 20.43 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.206 0.908 . . . . 0.0 113.423 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.78 15.19 80.9 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.388 0.994 . . . . 0.0 115.066 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.58 162.47 8.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.849 1.26 . . . . 0.0 112.369 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -77.41 147.88 35.79 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.791 -0.568 . . . . 0.0 109.874 168.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -58.77 -17.96 27.8 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -106.63 6.93 30.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.079 1.352 . . . . 0.0 113.744 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.3 m -65.05 133.12 50.95 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.52 1.054 . . . . 0.0 109.416 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -108.7 161.86 14.7 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.462 1.505 . . . . 0.0 110.288 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.01 -22.86 64.04 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.26 -37.0 71.94 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.999 -0.438 . . . . 0.0 110.332 167.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.62 -33.33 84.14 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.738 1.161 . . . . 0.0 112.524 173.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.21 -51.23 69.86 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.418 1.109 . . . . 0.0 111.217 169.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -57.19 -39.39 75.27 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.419 1.009 . . . . 0.0 112.05 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.64 -34.78 73.24 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.92 0.888 . . . . 0.0 113.064 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -86.57 -40.65 14.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.383 1.073 . . . . 0.0 113.388 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -82.41 -17.59 44.91 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -173.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.1 -11.17 44.21 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.653 1.12 . . . . 0.0 114.429 171.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -71.41 -26.24 62.67 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.819 1.248 . . . . 0.0 112.44 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -100.93 -26.03 13.88 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.387 1.475 . . . . 0.0 111.874 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 166.49 158.95 11.56 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 126.32 1.914 . . . . 0.0 111.629 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.54 145.81 55.56 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 117.893 0.846 . . . . 0.0 110.707 175.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.5 m -104.86 133.8 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 124.676 1.191 . . . . 0.0 111.132 -170.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -79.76 -24.72 41.33 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.008 2.123 . . . . 0.0 112.33 176.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -163.89 145.68 9.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.429 1.892 . . . . 0.0 109.065 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.3 m -143.19 137.36 28.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.919 1.687 . . . . 0.0 108.961 172.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.4 mt -145.63 145.83 31.1 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.058 1.343 . . . . 0.0 111.599 -171.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.68 128.96 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.006 1.323 . . . . 0.0 108.158 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.8 mmt -93.56 47.33 1.23 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.294 1.437 . . . . 0.0 111.68 -170.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -63.03 160.11 15.75 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.987 1.315 . . . . 0.0 114.54 -171.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -76.93 129.9 77.36 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 125.458 1.503 . . . . 0.0 109.953 169.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.76 -12.47 13.55 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.48 2.12 . . . . 0.0 114.268 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -87.96 -44.02 11.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.517 1.053 . . . . 0.0 111.064 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.5 p -106.05 -12.78 15.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.204 1.402 . . . . 0.0 113.265 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 66.16 3.6 2.76 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.906 2.483 . . . . 0.0 113.418 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -57.55 127.98 34.74 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.409 1.884 . . . . 0.0 110.253 172.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.1 p -60.2 -12.1 7.87 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 62.17 10.94 4.05 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.424 1.89 . . . . 0.0 112.477 -169.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.54 14.91 81.62 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 117.445 -1.753 . . . . 0.0 114.563 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -153.27 157.0 39.5 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.509 2.154 . . . . 0.0 116.443 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.31 -161.54 10.66 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.348 1.927 . . . . 0.0 113.117 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -146.56 148.86 32.58 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.824 1.65 . . . . 0.0 110.758 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.4 t -143.83 138.47 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.609 1.163 . . . . 0.0 110.132 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.1 m -121.73 135.32 54.94 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.572 1.549 . . . . 0.0 108.497 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -95.06 154.76 17.03 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.022 0.929 . . . . 0.0 112.111 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -65.42 -16.5 63.69 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -154.75 154.57 33.04 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.211 1.804 . . . . 0.0 111.083 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -58.64 -26.7 64.01 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.768 1.227 . . . . 0.0 113.029 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.3 -23.69 57.19 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.54 -33.43 28.04 Favored Glycine 0 N--CA 1.47 0.908 0 CA-C-N 119.076 0.853 . . . . 0.0 112.904 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.83 -47.58 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.937 0.869 . . . . 0.0 109.13 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -51.87 -45.02 63.93 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.448 1.099 . . . . 0.0 112.641 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.53 -38.62 87.56 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.48 -29.38 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.975 0.51 . . . . 0.0 110.966 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.3 mt -78.78 -38.81 37.56 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.282 -0.886 . . . . 0.0 112.075 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.54 -24.05 63.67 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -87.71 135.26 33.45 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.673 1.189 . . . . 0.0 110.627 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -81.14 -11.44 59.46 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 -169.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -163.01 147.61 11.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.107 1.363 . . . . 0.0 111.696 -173.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -142.02 155.62 45.42 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.833 1.653 . . . . 0.0 110.718 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -153.77 132.38 12.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.078 0.951 . . . . 0.0 110.731 -174.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.4 tp -148.67 127.83 12.88 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.694 1.598 . . . . 0.0 109.036 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.0 t70 59.11 36.98 24.29 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.645 1.578 . . . . 0.0 112.562 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 m 65.78 19.54 11.37 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.898 1.679 . . . . 0.0 113.588 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -120.17 129.47 54.14 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.405 1.882 . . . . 0.0 109.126 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.5 m -73.98 120.0 18.97 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.506 1.122 . . . . 0.0 108.73 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -103.5 152.61 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.78 0.832 . . . . 0.0 111.234 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -128.19 75.28 78.95 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.557 1.543 . . . . 0.0 110.933 -172.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -82.33 147.52 14.37 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.833 3.022 . . . . 0.0 111.851 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -157.98 159.65 36.66 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.572 1.549 . . . . 0.0 111.977 -169.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.27 135.58 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 O-C-N 121.319 -0.863 . . . . 0.0 110.731 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.364 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 tttp . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.5 mtp -141.21 137.52 32.67 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.504 1.522 . . . . 0.0 112.362 -173.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -83.57 138.16 33.51 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.601 1.561 . . . . 0.0 107.924 167.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.9 mm -120.34 101.82 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.23 1.012 . . . . 0.0 108.774 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.44 168.89 25.69 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.202 0.906 . . . . 0.0 113.319 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.72 16.14 80.4 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.189 0.899 . . . . 0.0 115.153 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt -65.25 164.49 13.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.766 1.226 . . . . 0.0 112.679 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.8 t -84.38 153.09 23.65 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.991 0.916 . . . . 0.0 111.136 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -67.8 -2.86 7.92 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.985 -1.072 . . . . 0.0 112.889 168.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -101.97 -4.72 25.64 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.007 1.323 . . . . 0.0 113.028 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.4 m -71.96 141.4 49.42 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.56 1.073 . . . . 0.0 110.809 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.6 p -121.98 161.88 22.12 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.438 1.895 . . . . 0.0 110.084 174.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -70.0 -29.32 66.37 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.972 0.509 . . . . 0.0 112.358 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.44 -38.85 92.74 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.653 0.781 . . . . 0.0 110.254 168.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.91 -33.05 78.61 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.92 1.248 . . . . 0.0 112.717 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.33 -50.15 72.75 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.927 1.364 . . . . 0.0 110.96 169.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -56.78 -40.11 75.29 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.73 1.15 . . . . 0.0 111.972 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -60.46 -33.15 72.14 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.772 0.829 . . . . 0.0 112.857 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -88.58 -29.97 19.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.867 1.267 . . . . 0.0 114.355 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.18 -17.36 20.88 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.3 -11.13 58.66 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.573 1.083 . . . . 0.0 114.913 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.8 -15.88 57.85 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.874 1.27 . . . . 0.0 113.217 172.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -100.7 -33.62 10.19 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.55 1.14 . . . . 0.0 111.508 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.89 154.0 11.04 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.032 1.777 . . . . 0.0 111.267 173.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.29 145.0 54.92 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 117.68 0.74 . . . . 0.0 110.622 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.2 m -102.6 133.92 44.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 124.293 1.037 . . . . 0.0 110.897 -171.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -83.43 -22.94 32.5 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.861 2.064 . . . . 0.0 112.834 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -164.71 146.46 8.17 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.138 2.175 . . . . 0.0 108.19 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.3 p -145.59 140.84 27.68 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.777 1.231 . . . . 0.0 110.012 174.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.6 mt -145.22 143.73 30.43 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.334 1.454 . . . . 0.0 111.262 -169.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.5 t -134.34 127.6 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 167.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.9 mmt -85.82 53.19 2.69 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.394 1.078 . . . . 0.0 111.92 -169.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -84.34 151.13 24.93 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -173.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -85.05 129.14 57.26 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 123.847 0.859 . . . . 0.0 109.427 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.79 -15.44 19.06 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.044 2.496 . . . . 0.0 113.678 -174.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.11 -30.0 49.26 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.3 1.04 . . . . 0.0 113.18 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 73.8 p -128.18 -13.6 5.01 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.117 1.767 . . . . 0.0 113.798 -170.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 64.2 6.64 3.05 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.546 2.338 . . . . 0.0 113.919 -174.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.5 mtm105 -53.11 122.24 9.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.605 1.162 . . . . 0.0 109.766 169.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.1 p -88.27 -5.69 58.21 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 63.48 5.1 1.97 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.151 1.78 . . . . 0.0 112.63 -168.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.39 20.05 78.01 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 118.023 -1.432 . . . . 0.0 113.981 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -154.12 159.07 41.31 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.778 1.789 . . . . 0.0 115.437 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.26 -158.63 9.11 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.665 1.602 . . . . 0.0 113.036 173.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -146.17 149.42 33.93 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.593 1.557 . . . . 0.0 110.829 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.2 t -140.36 137.82 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.403 1.081 . . . . 0.0 109.781 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -116.33 136.79 52.69 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.095 1.758 . . . . 0.0 107.391 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -104.09 152.47 22.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.032 0.933 . . . . 0.0 111.77 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.15 -14.5 62.97 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.982 0.913 . . . . 0.0 113.461 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -156.63 153.7 28.99 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.021 1.728 . . . . 0.0 110.931 173.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -62.24 -24.51 67.29 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.213 1.005 . . . . 0.0 112.256 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.62 -19.87 52.08 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.41 -37.57 10.74 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.938 0.79 . . . . 0.0 112.439 170.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.6 t -60.81 -47.74 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.944 0.897 . . . . 0.0 109.518 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.44 -45.72 69.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.732 1.213 . . . . 0.0 112.499 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -68.14 -33.22 74.08 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.81 -39.09 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.171 0.441 . . . . 0.0 110.479 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -71.08 -36.55 72.29 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.195 -0.941 . . . . 0.0 112.216 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.81 -16.55 63.3 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -91.65 142.64 27.4 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.578 1.151 . . . . 0.0 111.507 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 p -79.24 -24.45 43.02 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -170.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -154.19 146.61 23.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.536 1.534 . . . . 0.0 111.581 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -133.66 153.38 51.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.292 1.437 . . . . 0.0 110.981 173.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -157.31 129.34 7.17 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.86 0.864 . . . . 0.0 111.01 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -149.11 127.3 12.08 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.546 1.538 . . . . 0.0 108.539 -175.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 59.06 33.0 22.69 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.503 1.521 . . . . 0.0 112.955 -170.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.7 m 65.07 20.92 12.16 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.666 1.587 . . . . 0.0 113.677 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -113.33 132.34 55.61 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.068 1.747 . . . . 0.0 109.232 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.4 m -66.42 117.99 9.43 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 173.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.0 pt -101.53 156.73 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.417 0.627 . . . . 0.0 110.732 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -129.65 81.44 69.56 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 125.046 1.338 . . . . 0.0 110.626 -173.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -86.45 140.09 6.17 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.901 3.067 . . . . 0.0 111.136 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.58 160.98 40.92 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.418 1.487 . . . . 0.0 111.831 -169.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.35 133.79 27.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 O-C-N 121.443 -0.786 . . . . 0.0 110.522 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 123.731 0.812 . . . . 0.0 111.174 178.391 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mtp -137.94 137.0 37.54 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.811 1.644 . . . . 0.0 112.358 -173.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -83.21 135.7 34.68 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.891 1.676 . . . . 0.0 107.038 167.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.6 mm -116.04 100.79 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.151 0.98 . . . . 0.0 108.52 -173.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.41 164.44 22.19 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.242 0.925 . . . . 0.0 113.453 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.85 15.76 80.82 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.37 0.986 . . . . 0.0 115.105 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.71 166.98 7.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.896 1.278 . . . . 0.0 113.011 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 t -84.52 152.87 23.64 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.913 0.885 . . . . 0.0 110.652 169.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -68.26 -5.46 18.55 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.922 -1.111 . . . . 0.0 112.821 169.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -96.59 -7.57 34.02 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.75 1.22 . . . . 0.0 112.985 169.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -71.54 138.43 48.85 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.597 1.09 . . . . 0.0 110.527 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.8 p -119.83 163.72 17.07 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.978 1.711 . . . . 0.0 109.819 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.92 -24.19 65.17 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.73 -38.56 80.29 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 122.897 0.479 . . . . 0.0 110.247 168.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.6 -34.06 82.78 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.529 1.061 . . . . 0.0 112.5 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.94 -52.38 65.29 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.495 1.147 . . . . 0.0 110.489 169.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -55.8 -39.03 70.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.108 0.867 . . . . 0.0 112.286 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.94 -35.3 76.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.087 0.955 . . . . 0.0 112.944 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.17 -39.39 16.7 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.392 1.077 . . . . 0.0 113.237 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -84.16 -17.06 41.25 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -172.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.37 -10.49 48.6 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.608 1.099 . . . . 0.0 114.39 170.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.17 -25.84 61.84 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.669 1.188 . . . . 0.0 112.444 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -103.08 -38.2 7.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.936 1.294 . . . . 0.0 111.722 -174.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.78 159.79 29.58 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.212 1.387 . . . . 0.0 112.246 174.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.98 128.68 36.87 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.19 0.495 . . . . 0.0 109.973 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 m -85.79 136.91 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.512 0.672 . . . . 0.0 110.889 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -89.59 -22.61 22.26 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.37 1.868 . . . . 0.0 112.936 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -166.62 142.98 4.69 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.511 2.324 . . . . 0.0 107.793 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.1 p -141.12 144.54 34.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.691 1.196 . . . . 0.0 109.911 172.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.9 mt -149.21 144.06 26.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.49 1.116 . . . . 0.0 111.617 -169.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -129.47 126.53 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.133 1.373 . . . . 0.0 107.363 168.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.5 mmt -90.83 43.03 1.13 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.454 1.502 . . . . 0.0 113.011 -168.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -63.68 153.14 37.07 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.726 1.21 . . . . 0.0 113.986 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -78.43 129.63 74.07 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.512 1.125 . . . . 0.0 109.929 170.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.5 -11.25 14.39 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 122.446 2.098 . . . . 0.0 114.229 -173.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.08 -44.84 10.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.556 1.071 . . . . 0.0 111.187 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.9 p -109.76 -8.93 14.86 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.062 1.345 . . . . 0.0 113.579 -171.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 68.12 2.98 3.42 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.568 2.347 . . . . 0.0 113.896 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -58.15 135.04 56.98 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.256 0.935 . . . . 0.0 110.761 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.7 p -76.97 -10.27 59.25 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 60.01 14.03 4.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.917 1.687 . . . . 0.0 112.172 -168.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.45 23.31 78.14 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-O 117.881 -1.51 . . . . 0.0 113.891 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -154.43 159.2 40.94 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.858 1.829 . . . . 0.0 115.842 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.04 -157.57 8.44 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.992 1.758 . . . . 0.0 112.738 173.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -147.35 147.92 30.82 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.691 1.596 . . . . 0.0 110.849 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.9 t -142.25 129.43 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.581 1.153 . . . . 0.0 110.507 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.5 m -104.66 143.75 32.65 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.667 1.987 . . . . 0.0 108.116 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -112.85 151.03 30.91 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.555 1.142 . . . . 0.0 111.491 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -67.17 -15.17 63.55 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.237 1.015 . . . . 0.0 113.463 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -156.26 156.07 33.44 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.163 1.785 . . . . 0.0 110.922 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -62.69 -24.42 67.64 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.556 1.142 . . . . 0.0 112.98 177.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.74 -25.06 62.61 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.19 -37.37 18.48 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.175 0.898 . . . . 0.0 112.636 172.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.7 -48.49 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 123.827 0.851 . . . . 0.0 109.342 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.66 -45.9 66.95 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.888 1.275 . . . . 0.0 112.624 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -66.18 -37.75 86.37 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.5 t -69.85 -29.21 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 122.954 0.502 . . . . 0.0 111.075 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.75 -39.07 37.13 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.318 -0.864 . . . . 0.0 111.973 173.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.39 -26.36 63.66 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -176.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -85.28 135.35 33.95 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.519 1.128 . . . . 0.0 110.744 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -81.14 -11.15 59.52 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -169.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -162.83 147.15 11.53 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.018 1.327 . . . . 0.0 111.729 -173.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -142.73 156.43 45.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.86 1.664 . . . . 0.0 110.641 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -153.81 132.53 12.27 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.964 0.906 . . . . 0.0 111.066 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.1 tp -149.8 129.57 13.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.732 1.613 . . . . 0.0 108.966 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t70 58.11 34.29 24.03 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.682 1.593 . . . . 0.0 112.668 -170.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.6 m 65.65 17.86 11.03 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.87 1.668 . . . . 0.0 113.643 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -114.47 131.7 56.53 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.094 1.757 . . . . 0.0 109.135 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 m -72.62 119.07 16.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.283 1.033 . . . . 0.0 108.701 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.3 pt -103.13 150.28 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.717 0.807 . . . . 0.0 111.038 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -127.86 68.97 76.1 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 125.52 1.528 . . . . 0.0 111.149 -172.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -74.37 148.2 38.0 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.93 3.087 . . . . 0.0 111.918 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -158.43 165.06 35.57 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.045 1.738 . . . . 0.0 111.661 -170.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.92 133.8 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 121.209 -0.932 . . . . 0.0 110.782 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.55 0 C-N-CA 124.179 0.992 . . . . 0.0 113.133 -176.839 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.8 tttt . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.6 mtp -140.68 137.73 33.75 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.924 1.69 . . . . 0.0 112.063 -171.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -82.4 138.1 34.54 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.087 1.755 . . . . 0.0 107.741 167.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.3 mm -120.23 99.45 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 124.179 0.992 . . . . 0.0 108.838 -176.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.8 172.0 36.64 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.041 0.829 . . . . 0.0 112.732 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.48 16.51 77.5 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.971 0.796 . . . . 0.0 114.992 171.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.5 163.09 19.29 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.581 1.152 . . . . 0.0 112.156 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.9 t -79.38 152.33 30.44 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.251 0.62 . . . . 0.0 110.906 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -62.52 -12.05 20.08 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.012 -1.055 . . . . 0.0 113.031 168.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.71 -6.71 35.77 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.805 1.242 . . . . 0.0 113.222 174.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 79.9 m -69.77 138.53 52.83 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.616 1.098 . . . . 0.0 110.588 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.6 p -119.59 163.39 17.41 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.056 1.742 . . . . 0.0 109.941 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -68.87 -23.24 64.19 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.21 -36.56 71.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.747 0.419 . . . . 0.0 110.349 168.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.39 -34.29 84.53 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.443 1.02 . . . . 0.0 112.298 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.12 -50.76 71.91 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 118.544 1.172 . . . . 0.0 110.775 169.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -56.88 -39.06 73.65 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.32 0.964 . . . . 0.0 112.228 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.33 -34.62 74.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.132 0.973 . . . . 0.0 112.961 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -87.62 -37.94 16.35 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.482 1.113 . . . . 0.0 113.437 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -86.24 -15.48 40.68 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -173.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.27 -9.74 44.11 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.502 1.049 . . . . 0.0 114.427 170.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -72.89 -25.71 61.17 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.768 1.227 . . . . 0.0 112.555 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -103.51 -32.64 9.37 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.916 1.286 . . . . 0.0 112.224 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.15 166.39 35.87 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.992 1.282 . . . . 0.0 112.496 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.63 127.1 31.51 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.344 -0.504 . . . . 0.0 109.776 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.4 m -86.15 137.63 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.646 0.736 . . . . 0.0 110.939 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -85.92 -26.1 25.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.2 1.8 . . . . 0.0 112.503 175.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -167.44 135.9 2.55 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.47 1.908 . . . . 0.0 108.935 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.1 m -125.76 142.29 51.58 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.975 1.31 . . . . 0.0 109.246 169.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.7 mt -143.9 143.41 31.26 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.796 1.239 . . . . 0.0 111.754 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -132.23 128.89 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.278 1.431 . . . . 0.0 107.753 168.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.8 mmt -89.54 44.6 1.22 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.06 1.344 . . . . 0.0 112.333 -169.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -66.47 150.36 49.06 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.54 128.96 84.81 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 124.868 1.267 . . . . 0.0 109.582 169.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.72 -11.73 12.58 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.594 2.196 . . . . 0.0 114.153 -174.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -91.88 -44.34 8.98 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.367 0.985 . . . . 0.0 110.816 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.8 p -104.37 -9.83 18.21 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.115 0.966 . . . . 0.0 113.157 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 67.66 1.6 2.67 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.377 2.671 . . . . 0.0 114.004 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -61.38 130.64 47.06 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.074 1.349 . . . . 0.0 110.108 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.4 p -71.02 -7.2 44.7 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.29 1.436 . . . . 0.0 114.222 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 64.06 6.19 2.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.442 1.897 . . . . 0.0 112.294 -168.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.64 14.94 81.9 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.235 1.398 . . . . 0.0 114.482 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -156.2 162.47 40.18 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.646 1.723 . . . . 0.0 115.023 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.26 -156.07 7.75 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 125.791 1.663 . . . . 0.0 112.941 172.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -146.27 149.89 34.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.684 1.594 . . . . 0.0 111.031 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.5 t -141.33 135.36 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.5 1.12 . . . . 0.0 110.182 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 m -116.21 141.38 48.22 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.927 2.091 . . . . 0.0 108.099 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -109.99 154.56 22.99 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.529 1.132 . . . . 0.0 112.119 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.7 mmt -68.31 -19.42 64.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.049 0.94 . . . . 0.0 113.125 171.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -148.72 146.25 28.01 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.542 1.937 . . . . 0.0 110.793 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -64.09 -21.68 66.63 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.702 0.801 . . . . 0.0 112.369 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.95 -24.67 62.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.525 1.13 . . . . 0.0 113.873 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.14 -38.01 16.62 Favored Glycine 0 N--CA 1.47 0.952 0 CA-C-N 119.224 0.92 . . . . 0.0 112.426 171.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.63 -47.93 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.748 0.819 . . . . 0.0 109.497 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -52.3 -46.61 66.0 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.825 1.25 . . . . 0.0 112.737 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -64.88 -38.37 90.75 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.1 -29.28 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 122.931 0.492 . . . . 0.0 111.118 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.93 -38.59 36.87 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.321 -0.862 . . . . 0.0 111.967 173.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.38 -24.6 62.98 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -176.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -85.93 135.67 33.58 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.528 1.131 . . . . 0.0 110.685 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -82.25 -9.85 59.34 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -169.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -162.48 145.59 11.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.014 1.326 . . . . 0.0 111.692 -173.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -143.54 153.84 43.0 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.708 1.603 . . . . 0.0 110.691 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -153.51 132.85 12.77 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.015 0.926 . . . . 0.0 110.919 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.3 tp -149.53 130.2 14.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.684 1.594 . . . . 0.0 109.067 -177.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 57.26 35.4 26.08 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.682 1.593 . . . . 0.0 112.596 -170.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.4 m 65.49 19.25 11.51 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.683 1.593 . . . . 0.0 113.558 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -117.77 132.98 56.39 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.818 1.647 . . . . 0.0 109.552 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.5 m -74.6 116.83 15.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.475 1.11 . . . . 0.0 108.714 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.1 pt -98.94 158.83 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.655 0.782 . . . . 0.0 111.485 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -128.21 79.18 74.39 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.706 1.602 . . . . 0.0 110.564 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -87.97 134.88 3.22 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.908 3.072 . . . . 0.0 110.61 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -159.33 162.71 35.98 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.088 1.355 . . . . 0.0 112.279 -168.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.26 132.43 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.923 0.889 . . . . 0.0 111.228 -171.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.698 0 C-N-CA 123.867 0.867 . . . . 0.0 111.678 178.639 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.8 tttt . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.144 0.497 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.3 mtp -140.75 137.51 33.47 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.878 1.671 . . . . 0.0 112.246 -170.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -82.29 138.09 34.66 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.068 1.747 . . . . 0.0 107.973 168.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.6 mm -119.87 98.65 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.304 1.041 . . . . 0.0 108.788 -175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.45 168.87 31.12 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 124.006 0.812 . . . . 0.0 113.333 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.85 16.41 80.43 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.138 0.875 . . . . 0.0 115.063 172.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.38 159.78 26.15 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.505 1.122 . . . . 0.0 112.71 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.4 t -76.97 149.21 35.97 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.152 0.981 . . . . 0.0 110.61 168.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -64.03 -7.88 9.99 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.886 -1.134 . . . . 0.0 114.005 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -95.35 -2.37 49.3 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.558 1.143 . . . . 0.0 112.752 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.3 m -72.2 142.74 49.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.205 1.002 . . . . 0.0 111.107 -173.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -121.22 159.1 26.64 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.71 1.604 . . . . 0.0 109.774 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.97 -26.4 65.02 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.59 -34.95 76.67 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 122.025 -0.422 . . . . 0.0 110.611 168.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.86 -34.44 82.51 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.644 1.116 . . . . 0.0 112.443 172.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.8 -49.75 75.09 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.651 1.225 . . . . 0.0 110.723 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -57.73 -37.9 74.38 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.114 0.87 . . . . 0.0 112.286 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.58 -36.09 77.66 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.655 0.782 . . . . 0.0 112.8 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -84.31 -42.26 15.99 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.48 1.112 . . . . 0.0 113.324 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -82.33 -22.47 35.57 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.47 -12.85 57.31 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.139 1.352 . . . . 0.0 114.002 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -75.13 -20.21 59.52 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.525 1.13 . . . . 0.0 112.361 173.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -97.93 -42.08 7.7 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.414 1.486 . . . . 0.0 110.927 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.03 155.14 15.33 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.37 1.462 . . . . 0.0 112.326 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.48 146.08 52.54 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 117.491 0.646 . . . . 0.0 111.516 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 m -103.22 133.15 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.655 1.182 . . . . 0.0 111.413 -172.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -80.11 -25.82 39.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.848 2.459 . . . . 0.0 112.517 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -161.33 146.43 13.74 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.539 1.936 . . . . 0.0 108.717 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.5 p -149.15 142.52 25.21 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.775 1.23 . . . . 0.0 110.382 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -147.74 144.27 28.15 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.66 1.584 . . . . 0.0 111.094 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.3 t -125.87 121.69 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 166.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.7 mmm -87.82 52.67 2.54 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.195 0.998 . . . . 0.0 112.251 -168.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -73.62 153.72 40.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.663 1.185 . . . . 0.0 113.939 -170.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.77 129.67 88.0 Favored Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 124.91 1.284 . . . . 0.0 109.788 169.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -80.11 -10.53 13.8 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 122.12 1.88 . . . . 0.0 114.15 -172.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -89.17 -41.66 12.12 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.869 1.213 . . . . 0.0 111.348 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.2 p -108.12 -13.08 15.0 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.246 1.418 . . . . 0.0 113.5 -172.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 65.92 4.22 2.9 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.725 2.41 . . . . 0.0 113.634 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.87 126.53 27.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.294 1.838 . . . . 0.0 110.135 171.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.5 p -67.68 -7.28 25.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.974 1.31 . . . . 0.0 114.37 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 61.46 8.29 2.14 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.78 1.632 . . . . 0.0 112.13 -168.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.49 18.23 79.91 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-O 117.799 -1.556 . . . . 0.0 114.475 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -155.25 159.37 40.0 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 120.021 1.91 . . . . 0.0 115.476 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -150.07 -162.18 10.34 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 126.027 1.775 . . . . 0.0 112.984 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -144.96 147.95 33.27 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.658 1.583 . . . . 0.0 110.804 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.4 t -143.31 139.78 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.76 1.224 . . . . 0.0 110.205 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.1 m -122.18 138.16 54.57 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.734 1.614 . . . . 0.0 108.14 172.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -96.6 155.23 16.86 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.203 1.001 . . . . 0.0 112.279 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.29 -15.65 60.59 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 173.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -153.39 156.21 37.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.348 1.859 . . . . 0.0 110.443 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -57.83 -27.86 63.55 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.42 1.088 . . . . 0.0 112.703 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.75 -28.48 56.12 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.66 -31.54 60.42 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-N 119.134 0.879 . . . . 0.0 112.942 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.24 -46.52 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-N 117.852 0.826 . . . . 0.0 109.218 171.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.49 -44.24 76.36 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.959 0.904 . . . . 0.0 112.153 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -64.33 -34.68 78.71 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.843 0.857 . . . . 0.0 113.161 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.78 -42.96 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 122.865 0.466 . . . . 0.0 110.953 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.34 -35.06 78.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.221 0.608 . . . . 0.0 112.326 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.34 -9.09 45.55 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -108.52 136.49 48.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.93 1.292 . . . . 0.0 110.588 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.1 m -84.4 -8.67 58.9 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -168.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -162.44 146.52 11.87 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.155 1.382 . . . . 0.0 111.463 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -143.71 156.06 44.41 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.615 1.566 . . . . 0.0 110.809 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.34 133.26 12.33 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.073 0.949 . . . . 0.0 110.827 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.1 tp -149.53 129.47 13.43 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.587 1.555 . . . . 0.0 109.129 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.2 t70 58.07 36.88 26.35 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.709 1.604 . . . . 0.0 112.621 -172.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.5 m 66.23 18.88 11.03 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.872 1.669 . . . . 0.0 113.67 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -119.0 130.49 55.71 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.047 1.739 . . . . 0.0 109.376 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.9 m -71.86 118.64 14.96 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.399 1.08 . . . . 0.0 108.69 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.1 pt -101.78 158.46 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.832 0.853 . . . . 0.0 111.123 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -131.82 82.08 61.24 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 125.291 1.436 . . . . 0.0 110.39 -173.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -87.0 140.85 5.91 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.765 2.977 . . . . 0.0 111.266 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -156.56 162.43 39.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.512 1.525 . . . . 0.0 112.172 -169.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.37 133.76 26.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.355 -0.84 . . . . 0.0 110.542 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 123.983 0.913 . . . . 0.0 113.268 -175.903 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.5 tttt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.9 mtp -140.1 137.64 34.66 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.176 1.79 . . . . 0.0 112.203 -173.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -81.72 138.32 35.24 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.894 1.677 . . . . 0.0 107.702 167.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mm -120.57 99.93 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.185 0.994 . . . . 0.0 108.941 -176.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.06 169.89 32.6 Favored Glycine 0 N--CA 1.471 0.972 0 C-N-CA 123.953 0.787 . . . . 0.0 113.106 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.45 15.48 81.19 Favored Glycine 0 CA--C 1.535 1.327 0 N-CA-C 115.303 0.881 . . . . 0.0 115.303 170.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.63 166.75 12.27 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.92 1.288 . . . . 0.0 112.411 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.2 t -79.48 151.23 30.92 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.302 0.641 . . . . 0.0 110.784 169.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -59.67 -7.38 1.51 Allowed 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 170.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -120.96 10.37 10.81 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.605 1.562 . . . . 0.0 113.127 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.1 m -67.27 142.08 57.01 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.232 0.924 . . . . 0.0 109.912 169.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.9 p -118.86 160.04 22.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.561 1.545 . . . . 0.0 110.331 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.95 -25.04 64.35 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.87 -36.57 75.59 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.981 -0.449 . . . . 0.0 110.392 168.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.92 -33.84 85.23 Favored Glycine 0 C--N 1.343 0.941 0 C-N-CA 124.468 1.032 . . . . 0.0 112.432 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.45 -50.82 71.24 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.589 1.194 . . . . 0.0 110.935 169.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.94 -39.58 74.81 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.323 0.965 . . . . 0.0 112.14 175.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.06 -34.89 74.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.966 0.906 . . . . 0.0 112.872 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -85.38 -41.46 15.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.344 1.058 . . . . 0.0 113.351 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -82.4 -19.04 39.88 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.61 -9.97 47.19 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.634 1.111 . . . . 0.0 114.317 171.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.34 -27.04 64.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.648 1.179 . . . . 0.0 112.29 170.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -101.04 -35.22 9.43 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.478 1.511 . . . . 0.0 111.382 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.51 153.0 10.5 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 125.95 1.738 . . . . 0.0 111.544 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.09 148.67 35.0 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.603 0.701 . . . . 0.0 110.7 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 m -107.04 133.53 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.52 1.128 . . . . 0.0 111.538 -170.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -78.26 -27.26 47.49 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.451 2.301 . . . . 0.0 112.364 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -163.25 145.62 10.08 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.867 2.067 . . . . 0.0 108.656 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.13 144.29 29.88 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.75 1.22 . . . . 0.0 110.324 171.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -147.37 147.3 30.15 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.401 1.48 . . . . 0.0 111.177 -172.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -133.75 125.76 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 167.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.5 mmt -85.1 51.57 2.21 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.275 1.43 . . . . 0.0 112.382 -169.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -74.18 147.18 42.82 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.302 1.441 . . . . 0.0 113.977 -173.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.74 130.86 80.53 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.268 1.427 . . . . 0.0 110.353 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.77 -10.6 11.72 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.484 2.123 . . . . 0.0 114.493 -173.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.78 -35.18 15.0 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.61 1.096 . . . . 0.0 111.779 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.8 p -115.78 -12.01 11.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.111 1.365 . . . . 0.0 113.425 -172.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.04 6.14 3.32 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.586 2.355 . . . . 0.0 113.441 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -58.88 123.48 16.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.09 1.756 . . . . 0.0 110.083 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.6 p -71.39 -8.62 54.99 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 64.35 5.93 2.81 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.364 1.866 . . . . 0.0 112.703 -168.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.83 15.17 79.8 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-O 118.07 -1.406 . . . . 0.0 114.51 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -156.93 162.51 39.63 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.819 1.81 . . . . 0.0 114.959 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.01 -156.54 7.94 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.721 1.629 . . . . 0.0 113.177 173.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -145.75 150.76 36.83 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.621 1.568 . . . . 0.0 110.953 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.8 t -142.53 137.97 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.844 1.258 . . . . 0.0 109.937 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.5 m -116.97 136.15 53.16 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.558 1.543 . . . . 0.0 108.156 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -96.59 153.65 17.73 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.053 0.941 . . . . 0.0 112.179 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 99.3 mmm -67.5 -14.9 63.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.841 0.856 . . . . 0.0 113.23 173.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -154.73 154.01 32.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.299 1.839 . . . . 0.0 110.665 171.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -60.58 -25.25 66.07 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.589 1.156 . . . . 0.0 112.999 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.25 -23.56 56.41 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.22 -34.71 28.84 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 118.961 0.8 . . . . 0.0 112.731 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.29 -47.49 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 117.89 0.845 . . . . 0.0 109.303 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.14 -45.29 61.6 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.203 1.001 . . . . 0.0 112.65 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -66.77 -37.7 85.12 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.13 -31.66 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.34 0.656 . . . . 0.0 111.209 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.49 -38.25 55.57 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.274 -0.891 . . . . 0.0 111.978 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.37 -16.07 62.4 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -95.01 137.65 33.78 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.76 1.224 . . . . 0.0 111.147 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.2 m -80.63 -10.49 59.73 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -169.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -162.57 147.96 12.36 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.4 1.48 . . . . 0.0 111.551 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.01 155.0 49.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.746 1.618 . . . . 0.0 110.551 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -152.82 131.86 12.61 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.198 0.999 . . . . 0.0 110.372 -173.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.3 tp -153.71 131.87 11.87 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.366 1.466 . . . . 0.0 109.118 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 58.5 38.73 25.47 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.476 1.51 . . . . 0.0 112.58 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.1 m 66.88 23.13 10.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.079 1.752 . . . . 0.0 113.675 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -130.81 134.68 47.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.2 1.8 . . . . 0.0 109.846 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.0 m -67.26 118.09 10.17 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.562 1.145 . . . . 0.0 108.343 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.5 pt -100.07 156.32 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.398 0.618 . . . . 0.0 110.995 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -130.09 80.39 71.02 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 125.403 1.481 . . . . 0.0 110.48 -173.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -86.4 139.83 6.11 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 123.779 2.986 . . . . 0.0 111.186 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -155.45 162.2 40.8 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.542 1.537 . . . . 0.0 111.87 -170.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.0 t -61.03 132.37 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 121.287 -0.883 . . . . 0.0 110.503 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 123.815 0.846 . . . . 0.0 112.054 -178.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 tttm . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.5 mtp -137.88 136.81 37.45 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.598 1.559 . . . . 0.0 111.946 -175.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -84.5 131.76 34.61 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 125.85 1.66 . . . . 0.0 107.505 168.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.0 mm -113.36 95.13 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 123.987 0.915 . . . . 0.0 108.583 -172.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.39 165.33 27.47 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 123.959 0.79 . . . . 0.0 112.979 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.15 18.27 79.46 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.185 0.897 . . . . 0.0 114.962 172.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.13 164.59 15.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.601 1.161 . . . . 0.0 112.641 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.4 t -79.32 150.97 31.31 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.179 0.592 . . . . 0.0 110.3 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -59.04 -17.49 26.02 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.924 -1.11 . . . . 0.0 113.302 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -94.81 -7.56 39.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.831 1.652 . . . . 0.0 113.138 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.3 m -67.67 139.57 56.78 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.684 1.129 . . . . 0.0 110.821 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.0 p -121.72 163.31 19.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.203 1.801 . . . . 0.0 110.172 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.53 -25.32 64.87 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.29 -37.26 77.74 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.986 -0.446 . . . . 0.0 110.339 168.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.25 -34.1 84.64 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.395 0.998 . . . . 0.0 112.456 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.93 -52.99 62.69 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 118.673 1.237 . . . . 0.0 110.809 169.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -54.88 -40.09 69.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.405 1.002 . . . . 0.0 112.365 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -59.28 -35.42 73.72 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.033 0.933 . . . . 0.0 112.934 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -88.23 -41.68 12.78 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.387 1.075 . . . . 0.0 113.243 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -83.05 -23.92 32.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.559 1.144 . . . . 0.0 113.923 -172.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 -12.66 56.59 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.586 1.088 . . . . 0.0 113.971 172.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -77.26 -20.43 55.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.759 1.223 . . . . 0.0 112.696 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -98.23 -34.17 10.82 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.94 1.296 . . . . 0.0 111.975 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.74 154.72 13.19 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 127.192 2.329 . . . . 0.0 110.544 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -64.27 138.5 58.47 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.378 1.089 . . . . 0.0 111.143 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -91.76 129.63 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.943 1.297 . . . . 0.0 110.184 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -80.01 -25.9 40.08 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.268 1.827 . . . . 0.0 112.291 173.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -162.13 147.18 12.76 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.002 1.721 . . . . 0.0 109.118 -177.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.3 p -142.92 143.51 32.04 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.585 1.154 . . . . 0.0 110.386 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.7 mt -145.95 143.75 29.71 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.074 1.35 . . . . 0.0 111.322 -174.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.1 t -134.13 129.72 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.464 1.506 . . . . 0.0 107.646 168.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.3 mmt -91.83 42.49 1.1 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.17 1.388 . . . . 0.0 112.577 -169.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -63.24 145.89 54.58 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -173.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -79.87 128.57 73.67 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 124.156 0.982 . . . . 0.0 110.561 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.0 -14.06 21.23 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 122.707 2.271 . . . . 0.0 113.523 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.98 -26.48 48.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.238 1.015 . . . . 0.0 113.022 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 p -135.35 -11.21 2.17 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.252 1.421 . . . . 0.0 113.764 -170.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 64.29 4.44 2.15 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.943 2.497 . . . . 0.0 113.997 -176.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -61.34 131.19 49.5 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.242 1.017 . . . . 0.0 110.577 171.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.2 p -67.19 -9.22 37.99 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.961 1.704 . . . . 0.0 114.717 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 67.4 6.4 4.87 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.816 2.046 . . . . 0.0 112.567 -168.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.86 16.09 81.06 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-O 118.144 -1.365 . . . . 0.0 113.955 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -155.31 161.14 41.17 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.601 1.701 . . . . 0.0 115.404 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.23 -157.03 8.32 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 125.39 1.471 . . . . 0.0 112.894 169.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -144.69 148.94 34.82 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.346 1.458 . . . . 0.0 111.119 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.44 129.66 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.926 0.89 . . . . 0.0 109.968 172.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.4 m -105.46 139.9 39.39 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.7 1.6 . . . . 0.0 107.635 170.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -107.5 151.81 25.07 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.973 1.309 . . . . 0.0 111.367 -178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.6 mtp -73.98 -6.98 50.66 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.168 0.987 . . . . 0.0 113.414 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -156.74 154.42 29.97 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.111 2.165 . . . . 0.0 111.388 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -76.67 -22.57 53.84 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.795 -0.566 . . . . 0.0 112.105 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.17 -25.16 68.22 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.32 -35.82 22.37 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-N 119.823 1.192 . . . . 0.0 112.644 170.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.0 t -59.41 -46.72 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 117.96 0.88 . . . . 0.0 109.452 172.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -51.99 -47.76 64.74 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.078 1.351 . . . . 0.0 112.793 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -65.55 -35.87 82.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.84 -27.37 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.059 0.544 . . . . 0.0 111.276 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.0 mt -80.23 -38.7 30.52 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.063 -1.023 . . . . 0.0 111.733 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.4 -25.97 61.69 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -175.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -84.92 138.27 32.61 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.394 1.078 . . . . 0.0 111.435 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -82.79 -4.14 57.58 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -169.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -161.96 144.99 11.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.586 1.554 . . . . 0.0 111.157 -175.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -139.29 149.37 44.19 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.1 1.36 . . . . 0.0 110.937 173.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -153.31 130.73 11.35 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.964 0.906 . . . . 0.0 110.834 -171.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.6 tp -151.82 133.55 14.82 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.795 1.638 . . . . 0.0 108.855 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.8 t70 59.45 29.45 19.01 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.381 1.473 . . . . 0.0 112.46 -171.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 m 65.42 19.44 11.59 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.283 1.833 . . . . 0.0 113.827 -175.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -114.28 139.25 49.57 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.626 1.57 . . . . 0.0 109.806 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.2 m -72.83 117.94 15.16 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.5 pt -103.22 154.27 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.392 0.677 . . . . 0.0 111.18 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -128.79 67.4 77.34 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 125.171 1.388 . . . . 0.0 111.786 -171.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.2 146.24 28.3 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 124.096 3.197 . . . . 0.0 111.786 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -157.35 163.66 38.4 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.277 1.431 . . . . 0.0 112.428 -171.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.0 t -59.63 133.05 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 124.222 1.009 . . . . 0.0 110.717 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -176.564 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.1 tttt . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 71.1 mtp -139.2 137.77 36.3 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.864 1.665 . . . . 0.0 112.494 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -81.68 140.03 34.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.818 1.647 . . . . 0.0 107.399 167.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.1 mm -122.68 99.1 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.96 0.904 . . . . 0.0 109.103 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.54 168.92 32.34 Favored Glycine 0 N--CA 1.47 0.954 0 C-N-CA 124.055 0.836 . . . . 0.0 112.883 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.01 16.21 80.84 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 171.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.19 162.25 20.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.785 1.234 . . . . 0.0 112.558 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.9 t -76.91 147.96 36.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.094 0.958 . . . . 0.0 110.954 169.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -59.23 -16.18 19.56 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -109.64 9.93 24.99 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.561 1.544 . . . . 0.0 113.048 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.5 m -65.82 141.94 58.11 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.124 0.969 . . . . 0.0 110.09 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.5 p -118.57 160.21 22.19 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.257 1.423 . . . . 0.0 109.968 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -69.38 -22.95 63.68 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.0 -35.94 72.27 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.849 0.459 . . . . 0.0 110.351 167.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.44 -34.11 78.75 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.532 1.063 . . . . 0.0 112.453 172.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.91 -50.62 71.42 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 118.701 1.251 . . . . 0.0 110.49 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -55.23 -39.84 70.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.315 0.961 . . . . 0.0 112.27 175.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -61.02 -35.68 77.51 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.169 0.987 . . . . 0.0 112.909 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -86.5 -35.97 19.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.701 1.2 . . . . 0.0 113.527 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -88.89 -14.14 37.51 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -173.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.34 -10.12 46.51 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.469 1.033 . . . . 0.0 114.045 169.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -71.02 -25.62 62.75 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.826 1.251 . . . . 0.0 112.49 172.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -105.83 -28.98 10.31 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.678 1.191 . . . . 0.0 112.877 -172.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.83 165.78 32.83 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 125.282 1.42 . . . . 0.0 112.435 176.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.54 124.81 24.61 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 122.274 -0.545 . . . . 0.0 109.909 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -85.74 147.35 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.499 0.72 . . . . 0.0 111.292 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -103.27 -16.28 15.72 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.672 1.989 . . . . 0.0 113.775 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -147.37 -85.02 0.1 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.947 0.899 . . . . 0.0 112.407 -170.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.3 m 70.22 130.37 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 128.385 2.674 . . . . 0.0 112.577 -169.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.7 mt -147.94 145.47 28.6 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.531 1.532 . . . . 0.0 111.108 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.93 126.74 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 168.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.5 mmt -86.06 49.11 1.72 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.271 1.428 . . . . 0.0 112.299 -170.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -71.57 148.47 46.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.274 1.43 . . . . 0.0 113.516 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -84.14 126.64 69.39 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.527 1.131 . . . . 0.0 110.163 172.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.97 -13.96 21.33 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.596 2.197 . . . . 0.0 113.757 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.33 -25.65 51.33 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.98 . . . . 0.0 113.037 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -135.97 -10.99 2.01 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.413 1.485 . . . . 0.0 113.716 -170.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.51 6.53 2.58 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.822 2.449 . . . . 0.0 113.677 -175.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -58.97 128.99 40.0 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.985 1.314 . . . . 0.0 110.562 171.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -74.31 -7.36 52.53 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.95 1.3 . . . . 0.0 114.436 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 63.23 5.07 1.82 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.261 1.824 . . . . 0.0 112.758 -168.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.63 15.88 80.83 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-O 118.228 -1.318 . . . . 0.0 114.349 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -157.02 161.53 39.54 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.66 1.73 . . . . 0.0 114.747 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.4 -154.21 6.99 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.679 1.609 . . . . 0.0 112.827 173.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -147.13 151.44 36.82 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.777 1.631 . . . . 0.0 111.087 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.36 131.31 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.491 1.116 . . . . 0.0 110.063 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -111.39 143.67 41.84 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.837 2.055 . . . . 0.0 107.464 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -115.57 153.75 30.64 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.584 1.154 . . . . 0.0 112.004 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.8 mmt -68.7 -14.63 63.15 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.203 1.001 . . . . 0.0 113.494 174.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -155.33 154.56 32.24 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.238 1.815 . . . . 0.0 110.55 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -62.8 -25.21 68.12 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.387 1.075 . . . . 0.0 112.544 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.1 -19.67 54.47 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.82 -23.9 31.71 Favored Glycine 0 CA--C 1.53 1.021 0 CA-C-N 119.705 1.139 . . . . 0.0 113.51 170.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.4 t -67.83 -45.61 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 118.434 1.117 . . . . 0.0 108.535 169.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.4 -47.98 62.76 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.417 1.487 . . . . 0.0 112.929 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -65.21 -35.51 81.27 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.35 -29.94 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.219 0.607 . . . . 0.0 111.306 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.6 mt -77.9 -38.2 46.26 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 121.45 -0.781 . . . . 0.0 111.901 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.31 -21.47 62.06 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -90.21 138.66 31.34 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.999 1.32 . . . . 0.0 110.996 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.2 m -84.43 -12.0 55.18 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.888 1.811 . . . . 0.0 115.888 -169.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -163.18 147.07 10.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.032 1.333 . . . . 0.0 111.807 -174.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -143.07 151.86 41.23 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.971 1.708 . . . . 0.0 109.877 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -151.71 127.8 10.43 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.231 -0.918 . . . . 0.0 110.635 -174.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.66 125.23 15.78 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.273 1.429 . . . . 0.0 109.305 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.9 t70 58.34 42.1 22.06 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.005 1.722 . . . . 0.0 112.652 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 m 67.23 20.41 10.16 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.913 1.685 . . . . 0.0 113.888 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -125.19 127.91 47.53 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.21 1.804 . . . . 0.0 109.064 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.1 m -71.5 120.84 17.65 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.8 pt -99.94 158.49 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 123.832 0.853 . . . . 0.0 110.892 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -130.91 82.89 62.81 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.483 1.513 . . . . 0.0 110.044 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -83.52 143.93 11.15 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.342 2.695 . . . . 0.0 111.471 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -141.61 159.43 42.23 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.675 1.99 . . . . 0.0 110.888 -169.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.52 132.05 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 121.076 -1.015 . . . . 0.0 109.402 170.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 123.563 0.745 . . . . 0.0 112.894 -176.405 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.6 mtp -138.16 134.56 34.7 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.657 1.583 . . . . 0.0 111.945 -173.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -82.33 134.89 35.28 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.838 1.655 . . . . 0.0 107.171 168.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.2 mm -116.1 98.59 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.122 0.969 . . . . 0.0 108.488 -173.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.28 166.01 30.49 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.868 0.747 . . . . 0.0 112.968 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.52 16.55 78.95 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-O 119.041 -0.866 . . . . 0.0 114.98 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.33 163.86 6.11 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.612 1.206 . . . . 0.0 112.358 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.4 t -78.55 151.78 32.26 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.974 0.509 . . . . 0.0 110.723 169.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -61.27 -14.81 29.16 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.008 -1.057 . . . . 0.0 113.38 169.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -102.4 1.19 35.06 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.368 1.467 . . . . 0.0 113.418 176.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 m -71.53 139.66 49.58 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.666 1.121 . . . . 0.0 110.114 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 p -119.74 162.43 19.06 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.915 1.686 . . . . 0.0 110.238 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.25 -22.97 63.8 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.7 -36.56 70.6 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.824 0.45 . . . . 0.0 110.279 168.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.43 -34.07 83.67 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.444 1.021 . . . . 0.0 112.418 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.8 -52.71 63.94 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.6 1.2 . . . . 0.0 110.551 169.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -55.15 -39.44 69.47 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.259 0.936 . . . . 0.0 112.409 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.67 -34.85 74.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.214 1.005 . . . . 0.0 112.979 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -88.28 -38.78 14.92 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.576 1.15 . . . . 0.0 113.289 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -85.29 -15.38 43.59 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -172.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.25 -8.92 46.76 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.614 1.102 . . . . 0.0 114.416 170.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.59 -26.8 60.16 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.726 1.211 . . . . 0.0 112.562 174.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.73 -36.39 9.13 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.293 1.037 . . . . 0.0 112.527 -171.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.72 173.64 44.53 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 126.392 1.949 . . . . 0.0 111.568 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -79.35 120.47 23.83 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 117.781 0.79 . . . . 0.0 109.747 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 m -78.81 145.21 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-O 121.239 0.543 . . . . 0.0 111.36 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -103.77 -29.35 11.09 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.014 1.726 . . . . 0.0 113.397 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -168.16 102.51 0.45 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.364 1.465 . . . . 0.0 109.147 -169.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 59.8 m -101.8 141.45 34.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.449 1.5 . . . . 0.0 110.117 174.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -144.67 147.28 32.86 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.574 1.15 . . . . 0.0 112.116 -177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.9 t -132.7 129.96 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.446 1.498 . . . . 0.0 107.911 168.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.2 mmt -93.96 45.66 1.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.27 1.428 . . . . 0.0 112.261 -169.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 -64.34 151.56 43.59 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -173.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -75.07 136.03 73.22 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.303 1.441 . . . . 0.0 109.934 170.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -83.01 -14.02 8.82 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.574 2.182 . . . . 0.0 113.912 -175.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.5 mt -93.1 -44.66 8.27 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.889 1.276 . . . . 0.0 111.212 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.7 p -101.3 -11.56 19.37 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.415 1.086 . . . . 0.0 112.844 -175.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 mptt 66.89 -1.45 1.37 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.97 2.508 . . . . 0.0 113.712 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.72 133.19 55.87 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.637 1.575 . . . . 0.0 110.499 174.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.0 p -66.07 -6.39 12.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.538 1.535 . . . . 0.0 114.59 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 63.76 7.17 3.03 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.489 1.916 . . . . 0.0 112.225 -168.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.72 17.06 79.34 Favored Glycine 0 C--N 1.341 0.826 0 CA-C-O 118.04 -1.422 . . . . 0.0 114.241 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -157.08 162.23 39.46 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.8 1.8 . . . . 0.0 115.07 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.47 -155.05 7.34 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 125.587 1.565 . . . . 0.0 112.664 171.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -144.89 150.71 37.52 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.455 1.502 . . . . 0.0 110.914 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.4 t -139.63 128.41 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.364 1.066 . . . . 0.0 110.209 170.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.5 m -105.38 146.86 28.87 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.415 1.886 . . . . 0.0 108.102 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -117.61 152.5 35.04 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.657 1.183 . . . . 0.0 111.441 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.83 -8.05 49.8 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.166 1.386 . . . . 0.0 113.024 169.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -156.32 149.51 24.33 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.693 1.997 . . . . 0.0 111.579 -170.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -76.54 -22.65 54.07 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.814 -0.554 . . . . 0.0 112.202 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.87 -25.59 68.37 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.66 -36.68 22.18 Favored Glycine 0 N--CA 1.469 0.871 0 CA-C-N 119.726 1.148 . . . . 0.0 112.655 171.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -59.1 -46.41 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 117.735 0.767 . . . . 0.0 109.495 172.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.37 -47.66 66.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.959 1.304 . . . . 0.0 112.935 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -65.8 -35.68 81.37 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.22 -29.15 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.072 0.549 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.7 mt -78.63 -38.31 40.03 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.238 -0.914 . . . . 0.0 111.8 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.08 -26.09 62.02 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -81.36 142.93 32.56 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.576 1.15 . . . . 0.0 111.66 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.0 p -79.36 -25.02 42.32 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -170.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.4 ttp-105 -155.99 150.45 25.81 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.248 1.419 . . . . 0.0 111.676 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -136.12 152.99 51.41 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.621 1.569 . . . . 0.0 110.51 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -156.8 130.15 8.03 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.505 -0.747 . . . . 0.0 111.036 -169.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.0 tp -152.67 132.72 13.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.958 1.703 . . . . 0.0 108.688 -173.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.6 t70 59.62 29.8 19.38 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.254 1.422 . . . . 0.0 112.301 -170.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 63.98 19.66 11.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.283 1.833 . . . . 0.0 113.559 -174.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -116.19 136.34 53.1 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.921 1.688 . . . . 0.0 109.516 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.7 m -79.08 118.53 21.14 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.927 0.891 . . . . 0.0 109.172 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 21.2 pt -104.55 153.6 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.835 0.854 . . . . 0.0 111.129 -176.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -130.08 75.5 79.31 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 125.634 1.574 . . . . 0.0 110.916 -171.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -81.72 149.37 16.19 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.831 3.021 . . . . 0.0 112.16 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -159.64 164.19 34.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.976 1.711 . . . . 0.0 111.876 -169.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.75 134.54 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 O-C-N 121.214 -0.929 . . . . 0.0 110.882 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -175.834 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.1 tttt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.9 mtp -140.44 137.27 33.81 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 126.283 1.833 . . . . 0.0 111.77 -174.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -83.18 135.46 34.78 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.937 1.695 . . . . 0.0 107.318 167.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.3 mm -115.82 98.28 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.203 1.001 . . . . 0.0 108.712 -173.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.28 160.54 22.94 Favored Glycine 0 N--CA 1.471 0.975 0 C-N-CA 124.108 0.861 . . . . 0.0 113.623 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.63 15.46 79.53 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.446 1.022 . . . . 0.0 115.105 173.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.97 163.5 7.71 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.115 1.366 . . . . 0.0 112.485 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 t -79.86 152.01 29.89 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.589 -0.695 . . . . 0.0 110.672 169.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -61.9 -12.51 18.26 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.813 -1.179 . . . . 0.0 113.443 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -88.01 -14.6 38.64 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.913 1.685 . . . . 0.0 113.233 173.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.6 m -72.26 141.29 48.93 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.38 0.991 . . . . 0.0 112.007 -169.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.2 p -117.55 160.36 21.37 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.553 1.941 . . . . 0.0 110.715 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -70.42 -27.45 64.28 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.481 0.713 . . . . 0.0 112.719 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.54 -37.54 87.02 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.716 0.807 . . . . 0.0 110.412 168.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.65 -34.43 78.4 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.611 1.101 . . . . 0.0 112.547 173.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.43 -51.42 68.8 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.659 1.23 . . . . 0.0 110.383 169.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -56.1 -37.86 69.95 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.814 0.733 . . . . 0.0 112.528 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -59.75 -35.77 75.27 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.881 0.872 . . . . 0.0 112.91 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -88.57 -41.32 12.75 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.893 1.277 . . . . 0.0 113.088 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -81.64 -22.23 37.7 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.406 1.082 . . . . 0.0 113.482 -175.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.18 -13.96 55.1 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.978 1.275 . . . . 0.0 114.147 171.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -78.72 -19.44 52.39 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.646 1.178 . . . . 0.0 112.656 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -98.46 -35.66 10.19 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.444 1.498 . . . . 0.0 111.446 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.84 156.63 21.02 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.146 1.355 . . . . 0.0 112.138 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.72 130.81 47.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.441 0.621 . . . . 0.0 110.338 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 m -90.64 135.26 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.649 0.737 . . . . 0.0 111.194 -175.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -80.11 -27.07 39.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.618 1.967 . . . . 0.0 112.722 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -167.07 141.76 3.95 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.684 1.994 . . . . 0.0 108.122 -171.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.9 p -141.63 144.46 34.18 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.898 1.279 . . . . 0.0 109.878 171.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -146.76 146.31 30.24 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.806 1.242 . . . . 0.0 111.453 -172.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.23 128.24 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.279 1.432 . . . . 0.0 107.428 167.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.2 mmt -89.73 46.4 1.36 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.015 1.326 . . . . 0.0 112.269 -169.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -66.12 146.81 54.22 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -72.41 131.24 84.99 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 125.091 1.356 . . . . 0.0 110.009 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -79.89 -13.19 13.08 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.452 2.102 . . . . 0.0 113.943 -173.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.3 mt -90.08 -38.89 13.25 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.306 0.957 . . . . 0.0 111.688 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.3 p -112.87 -9.85 13.61 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.518 1.527 . . . . 0.0 113.527 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 67.23 0.2 1.99 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.925 2.49 . . . . 0.0 113.886 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -58.5 130.07 45.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.983 1.713 . . . . 0.0 110.589 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.4 p -66.93 -7.77 24.53 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.286 1.435 . . . . 0.0 114.684 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 64.16 7.1 3.25 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.309 1.844 . . . . 0.0 112.315 -168.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.97 17.41 78.49 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-O 118.079 -1.401 . . . . 0.0 114.329 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.26 162.63 39.21 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.811 1.806 . . . . 0.0 115.152 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.06 -156.06 7.66 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 125.444 1.497 . . . . 0.0 112.987 171.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -145.78 150.7 36.69 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.519 1.528 . . . . 0.0 111.07 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.1 t -142.19 135.56 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.513 1.125 . . . . 0.0 110.049 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.3 m -117.73 141.89 47.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.296 1.838 . . . . 0.0 108.398 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.72 155.24 19.89 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.465 1.106 . . . . 0.0 112.251 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.5 mmt -69.33 -15.14 63.27 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.218 1.007 . . . . 0.0 113.417 171.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -155.99 153.93 30.3 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.128 1.771 . . . . 0.0 110.832 174.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -59.99 -26.06 65.74 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.679 1.191 . . . . 0.0 113.099 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.49 -23.73 58.66 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.84 -30.83 31.0 Favored Glycine 0 N--CA 1.469 0.897 0 CA-C-N 119.111 0.869 . . . . 0.0 113.19 172.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.96 -47.02 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.105 0.952 . . . . 0.0 109.125 172.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -51.65 -45.14 63.23 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.656 1.182 . . . . 0.0 112.685 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.16 -38.83 89.05 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.74 -29.21 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.001 0.52 . . . . 0.0 111.15 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.5 -39.02 39.36 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.261 -0.899 . . . . 0.0 112.027 173.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.21 -25.73 63.55 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -85.43 134.52 34.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.562 1.145 . . . . 0.0 110.646 175.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -81.0 -12.09 59.44 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -169.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -161.23 146.88 14.16 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.206 1.403 . . . . 0.0 111.682 -172.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -141.71 153.85 44.91 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.418 1.487 . . . . 0.0 110.921 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -153.24 129.6 10.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.784 1.234 . . . . 0.0 109.843 -173.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.2 tp -155.09 133.28 11.68 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.796 1.638 . . . . 0.0 108.986 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.5 t0 61.24 38.66 16.46 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.871 1.269 . . . . 0.0 112.63 172.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 m 68.99 26.58 5.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.674 1.99 . . . . 0.0 114.137 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -139.6 138.29 36.07 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.008 1.323 . . . . 0.0 110.379 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.8 m -74.88 122.57 23.6 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 170.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 41.6 pt -108.16 154.02 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.856 0.862 . . . . 0.0 111.412 -174.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -128.25 68.29 76.55 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.502 1.521 . . . . 0.0 111.257 -171.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.24 146.78 36.53 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.831 3.02 . . . . 0.0 111.682 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -157.02 163.57 38.93 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.659 1.583 . . . . 0.0 112.044 -169.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.58 134.13 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 123.848 0.859 . . . . 0.0 110.602 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -176.764 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtp -138.56 137.04 36.65 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.79 1.636 . . . . 0.0 112.271 -174.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -83.68 134.63 34.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.032 1.733 . . . . 0.0 107.212 167.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 mm -114.78 96.29 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.132 0.973 . . . . 0.0 108.623 -173.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.15 163.75 30.56 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 123.885 0.755 . . . . 0.0 113.113 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.74 19.17 79.71 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.196 0.903 . . . . 0.0 115.019 172.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.9 mt -62.68 163.92 8.48 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.425 1.112 . . . . 0.0 112.275 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 t -75.75 150.29 37.82 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.895 -0.503 . . . . 0.0 110.413 169.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -58.69 -16.75 17.79 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -112.22 7.62 19.52 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.044 1.738 . . . . 0.0 113.953 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.1 m -65.17 140.54 58.78 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.607 1.094 . . . . 0.0 109.905 173.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.2 p -115.41 159.67 20.84 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.532 1.533 . . . . 0.0 110.806 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -70.32 -23.66 62.87 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.57 -37.81 74.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.587 0.355 . . . . 0.0 110.19 167.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.06 -32.39 82.3 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.61 1.1 . . . . 0.0 112.662 173.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.47 -52.47 64.41 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.634 1.217 . . . . 0.0 110.99 169.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.52 -39.74 73.85 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.466 1.03 . . . . 0.0 112.135 176.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.13 -34.21 71.79 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.162 0.985 . . . . 0.0 113.119 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -88.02 -41.1 13.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.398 1.079 . . . . 0.0 113.449 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.69 -18.55 40.52 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -172.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.91 -11.49 50.89 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.636 1.113 . . . . 0.0 114.375 171.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -71.27 -27.11 63.21 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.56 1.144 . . . . 0.0 112.32 172.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -100.01 -34.66 9.99 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.994 1.318 . . . . 0.0 111.64 -176.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.74 153.44 11.5 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.095 1.807 . . . . 0.0 111.544 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.52 147.32 51.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 117.865 0.833 . . . . 0.0 110.841 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.7 m -106.84 137.4 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.683 1.193 . . . . 0.0 111.659 -169.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -85.09 -23.13 28.65 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.077 2.151 . . . . 0.0 112.75 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -168.47 140.34 2.78 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.237 2.215 . . . . 0.0 107.905 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.0 m -140.29 136.62 33.45 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.727 1.611 . . . . 0.0 109.038 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.1 mt -145.04 144.26 30.9 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.272 1.029 . . . . 0.0 111.918 -171.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -132.12 129.2 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.376 1.471 . . . . 0.0 107.518 168.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.4 mmt -90.26 44.9 1.23 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.009 1.323 . . . . 0.0 112.302 -169.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -66.2 148.91 51.13 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -172.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.6 130.3 85.85 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.063 1.345 . . . . 0.0 110.084 170.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.51 -12.42 13.9 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.421 2.08 . . . . 0.0 114.316 -172.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.3 mp -88.01 -43.69 11.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.513 1.051 . . . . 0.0 111.09 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.2 p -106.77 -12.29 15.55 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.167 1.387 . . . . 0.0 113.318 -171.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 66.42 3.13 2.7 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.886 2.474 . . . . 0.0 113.404 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -55.95 124.05 16.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.177 1.791 . . . . 0.0 110.665 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.2 p -65.5 -8.57 20.08 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 64.79 5.45 2.83 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.501 1.92 . . . . 0.0 112.458 -168.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.12 16.81 77.99 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-O 118.131 -1.372 . . . . 0.0 114.235 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -157.7 163.08 38.54 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.79 1.795 . . . . 0.0 115.151 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.0 -155.37 7.43 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.496 1.522 . . . . 0.0 112.95 170.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -146.96 149.21 32.74 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.527 1.531 . . . . 0.0 111.33 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.1 t -141.35 130.12 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.516 1.126 . . . . 0.0 110.154 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.9 m -109.42 137.64 46.97 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.134 1.773 . . . . 0.0 107.65 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -105.42 154.4 20.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.076 0.95 . . . . 0.0 111.879 -176.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.9 mmt -70.95 -8.35 52.49 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.534 1.134 . . . . 0.0 113.313 171.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -160.88 158.75 28.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.958 2.103 . . . . 0.0 111.642 -174.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -78.72 -22.52 46.45 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.86 -0.525 . . . . 0.0 112.412 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.06 71.55 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.95 -39.99 58.03 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 119.207 0.912 . . . . 0.0 112.594 171.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.03 -48.45 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 117.72 0.76 . . . . 0.0 109.77 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -53.74 -44.79 70.24 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.594 1.158 . . . . 0.0 112.604 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -67.57 -35.39 78.92 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.2 t -70.65 -28.79 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.016 0.526 . . . . 0.0 111.117 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.9 mt -79.06 -38.87 35.32 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.177 -0.952 . . . . 0.0 111.723 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.83 -25.41 61.97 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -85.7 138.58 32.02 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.424 1.09 . . . . 0.0 111.461 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.6 m -82.59 -4.87 58.33 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -169.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -162.08 144.62 11.46 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.557 1.543 . . . . 0.0 111.224 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -139.56 150.53 45.17 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.249 1.42 . . . . 0.0 110.574 173.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -153.0 130.27 11.26 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.778 0.831 . . . . 0.0 111.102 -171.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -150.88 132.96 15.26 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.744 1.618 . . . . 0.0 108.941 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.8 t70 58.25 30.76 19.95 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.362 1.465 . . . . 0.0 112.397 -169.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.2 m 65.96 16.39 10.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.34 1.856 . . . . 0.0 113.63 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -111.3 138.45 47.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.726 1.61 . . . . 0.0 109.731 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.7 m -74.14 117.58 16.1 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.2 pt -103.66 151.57 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.355 0.662 . . . . 0.0 111.149 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -127.7 70.2 76.81 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 125.554 1.542 . . . . 0.0 111.301 -172.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -76.98 149.23 28.68 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.974 3.116 . . . . 0.0 112.082 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -159.48 164.85 34.11 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.847 1.659 . . . . 0.0 111.869 -169.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.74 134.89 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.256 -0.903 . . . . 0.0 110.86 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 124.067 0.947 . . . . 0.0 113.202 -177.757 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.2 tttt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.4 mtp -138.6 135.68 35.21 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 126.386 1.874 . . . . 0.0 111.678 -175.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -81.38 131.1 35.27 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.928 1.691 . . . . 0.0 106.442 168.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.5 mm -111.12 95.21 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -172.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.52 167.14 32.21 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.973 0.797 . . . . 0.0 113.02 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.54 14.38 79.62 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.233 0.921 . . . . 0.0 114.988 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.56 162.4 10.49 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.528 1.164 . . . . 0.0 112.219 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.1 t -77.44 147.48 35.94 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.411 168.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -58.34 -14.63 7.89 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 176.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -105.31 7.46 33.41 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.633 1.573 . . . . 0.0 112.926 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.9 m -69.94 145.49 51.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.414 1.086 . . . . 0.0 110.919 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.6 p -121.51 159.09 27.03 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.731 1.613 . . . . 0.0 110.581 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.02 -27.75 68.35 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.33 -36.73 74.45 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.861 -0.524 . . . . 0.0 110.844 169.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.04 -33.13 84.56 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.352 0.977 . . . . 0.0 112.297 173.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 mt -62.27 -51.95 65.68 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.365 1.083 . . . . 0.0 110.895 169.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -56.68 -39.28 73.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.334 0.97 . . . . 0.0 112.185 176.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -58.61 -33.39 69.96 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.279 1.031 . . . . 0.0 113.042 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -89.7 -41.33 11.98 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.354 1.062 . . . . 0.0 113.379 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -81.79 -19.05 42.03 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -172.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.52 -10.76 50.65 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.691 1.139 . . . . 0.0 114.371 172.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -71.23 -26.02 62.74 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.553 1.141 . . . . 0.0 112.38 172.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -101.44 -38.73 7.88 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.223 1.409 . . . . 0.0 111.439 -176.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.32 154.04 14.82 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 126.329 1.919 . . . . 0.0 111.051 173.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.98 145.29 56.12 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.269 1.035 . . . . 0.0 110.882 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.8 m -99.11 131.38 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 124.13 0.972 . . . . 0.0 110.772 -173.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -79.95 -23.39 41.7 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.619 1.968 . . . . 0.0 112.526 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -170.93 140.49 1.59 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.458 2.303 . . . . 0.0 107.468 -172.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.08 145.3 30.5 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.675 1.19 . . . . 0.0 110.202 176.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.1 mt -149.72 152.03 34.63 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.683 1.193 . . . . 0.0 111.13 -169.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -134.53 126.73 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.838 1.655 . . . . 0.0 106.72 169.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.3 mmt -95.46 42.59 1.09 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.204 1.402 . . . . 0.0 112.607 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -59.78 153.32 20.85 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.26 1.424 . . . . 0.0 114.415 -172.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.5 129.22 92.81 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.788 1.235 . . . . 0.0 109.987 169.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -79.46 -12.03 14.13 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.389 2.059 . . . . 0.0 114.202 -172.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.09 -42.46 12.36 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.543 1.065 . . . . 0.0 111.193 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.5 p -108.25 -11.62 15.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.896 1.279 . . . . 0.0 113.478 -171.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 65.84 2.46 2.18 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.934 2.494 . . . . 0.0 113.573 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.4 mtp-105 -57.98 126.34 27.02 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.864 2.065 . . . . 0.0 110.497 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 p -62.12 -8.51 5.6 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 60.04 11.74 2.83 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.68 1.592 . . . . 0.0 112.473 -168.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.72 17.79 78.29 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-O 117.847 -1.529 . . . . 0.0 114.047 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -155.77 158.33 37.99 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.74 -157.17 8.06 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 126.124 1.821 . . . . 0.0 112.585 173.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -147.39 147.11 29.92 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.323 1.449 . . . . 0.0 111.047 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.9 t -141.63 126.69 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.396 1.078 . . . . 0.0 110.61 174.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 m -101.97 138.42 38.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.639 1.976 . . . . 0.0 107.967 170.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -105.6 149.58 26.18 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.964 0.906 . . . . 0.0 111.281 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.0 mtp -72.62 -6.91 47.5 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.429 1.092 . . . . 0.0 113.549 173.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -153.63 152.07 30.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.492 2.317 . . . . 0.0 110.801 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -75.13 -25.75 58.65 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.696 -0.628 . . . . 0.0 112.273 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.22 -32.51 70.02 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.695 0.798 . . . . 0.0 112.941 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.54 -34.3 78.65 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 119.361 0.982 . . . . 0.0 112.932 173.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 80.6 t -66.42 -48.19 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 118.251 1.025 . . . . 0.0 109.352 173.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.91 -44.04 70.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.073 0.949 . . . . 0.0 112.606 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -67.41 -36.32 81.03 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 82.0 t -70.64 -30.16 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.337 0.655 . . . . 0.0 111.066 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.0 mt -77.03 -38.51 52.68 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.178 -0.951 . . . . 0.0 111.848 173.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.59 -20.51 61.29 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -90.81 138.46 31.57 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.833 1.253 . . . . 0.0 111.371 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -83.65 -5.43 59.18 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -169.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -161.65 144.85 12.3 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.539 1.536 . . . . 0.0 111.216 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.09 151.39 45.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.31 1.444 . . . . 0.0 110.655 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -153.2 130.93 11.58 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.749 0.819 . . . . 0.0 111.033 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.8 tp -150.08 131.99 15.16 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.681 1.592 . . . . 0.0 108.996 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 58.32 33.03 22.77 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.567 1.547 . . . . 0.0 112.327 -171.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m 66.0 17.82 10.89 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.585 1.954 . . . . 0.0 113.926 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -116.01 139.22 50.48 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.734 1.614 . . . . 0.0 109.9 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 m -75.87 115.89 16.02 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.2 pt -100.17 150.43 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.26 0.624 . . . . 0.0 111.137 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -129.7 67.4 79.15 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 125.691 1.597 . . . . 0.0 111.466 -172.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -73.79 148.24 40.89 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 124.141 3.227 . . . . 0.0 111.993 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -157.77 163.78 37.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.077 1.751 . . . . 0.0 111.681 -171.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.8 134.1 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 121.122 -0.986 . . . . 0.0 111.136 -174.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.543 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.168 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.4 tttt . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 113.404 0.891 . . . . 0.0 113.404 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.7 mtp -139.05 137.89 36.67 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.409 1.884 . . . . 0.0 111.952 -174.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -83.86 139.71 32.47 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.896 1.679 . . . . 0.0 108.259 168.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 mm -121.9 102.8 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.178 0.991 . . . . 0.0 109.036 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.34 167.56 26.28 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.242 0.925 . . . . 0.0 113.338 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.73 12.95 82.57 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.46 1.029 . . . . 0.0 115.245 173.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.63 159.64 12.9 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.972 1.309 . . . . 0.0 112.442 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 t -76.88 152.38 35.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.711 0.767 . . . . 0.0 111.473 173.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -62.98 -6.6 4.04 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.292 1.037 . . . . 0.0 113.267 168.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -114.66 6.35 15.66 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.414 1.486 . . . . 0.0 113.417 173.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.3 m -70.53 143.66 51.57 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.652 1.115 . . . . 0.0 110.459 172.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.7 p -124.75 162.21 24.73 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.111 1.765 . . . . 0.0 110.208 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -65.45 -29.62 70.31 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.49 -36.88 79.55 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.864 -0.523 . . . . 0.0 110.861 170.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.8 -33.41 85.8 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.327 0.965 . . . . 0.0 112.454 173.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -61.94 -51.73 66.94 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.495 1.148 . . . . 0.0 111.165 169.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -57.71 -38.69 75.69 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.45 1.023 . . . . 0.0 112.191 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.18 -33.3 70.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.999 0.92 . . . . 0.0 112.846 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -88.94 -42.2 11.95 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.47 1.108 . . . . 0.0 113.402 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -81.33 -19.52 42.66 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 -10.42 48.46 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.76 1.171 . . . . 0.0 114.321 172.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.81 -26.62 63.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.619 1.167 . . . . 0.0 112.337 171.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -101.47 -30.11 11.61 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.065 1.346 . . . . 0.0 112.251 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.9 156.27 11.96 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 127.034 2.254 . . . . 0.0 111.286 176.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.08 147.05 53.93 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.466 1.133 . . . . 0.0 111.153 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.9 m -103.73 131.44 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.499 1.119 . . . . 0.0 111.168 -174.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -81.3 -24.17 37.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.337 2.255 . . . . 0.0 112.977 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -161.33 147.92 14.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.436 1.894 . . . . 0.0 108.614 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.6 p -150.73 141.27 22.54 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.976 1.31 . . . . 0.0 110.06 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -147.8 151.71 36.46 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.661 1.584 . . . . 0.0 111.015 -171.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -138.91 127.36 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.974 1.71 . . . . 0.0 106.571 169.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.4 mmt -88.73 49.8 1.85 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.216 1.006 . . . . 0.0 112.167 -169.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -74.79 145.54 42.83 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -175.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.3 132.1 70.63 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.215 1.406 . . . . 0.0 109.992 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.36 -12.46 12.77 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.65 2.233 . . . . 0.0 114.057 -174.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 73.8 mt -94.7 -43.38 8.29 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.753 1.221 . . . . 0.0 111.321 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.0 p -104.4 -7.71 19.7 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.749 1.22 . . . . 0.0 112.977 -174.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 64.53 0.49 1.11 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.983 2.513 . . . . 0.0 113.769 176.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.4 mmt-85 -61.87 134.88 57.25 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.651 1.18 . . . . 0.0 110.267 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.3 p -80.85 -2.55 47.82 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.57 1.148 . . . . 0.0 113.474 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 61.5 2.44 0.67 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.913 1.685 . . . . 0.0 112.39 -168.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.52 21.8 77.69 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.456 1.503 . . . . 0.0 113.882 -174.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -155.45 160.45 40.62 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.845 1.822 . . . . 0.0 115.158 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.65 -157.57 8.49 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.764 1.649 . . . . 0.0 112.918 173.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -145.83 151.65 38.25 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.174 1.39 . . . . 0.0 111.244 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.7 t -143.38 134.92 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.882 1.273 . . . . 0.0 109.799 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.7 m -111.67 133.52 53.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.182 1.393 . . . . 0.0 108.105 170.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -91.97 152.49 19.99 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.696 0.798 . . . . 0.0 112.114 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.8 mtt -72.16 -8.85 57.03 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.086 0.954 . . . . 0.0 113.454 170.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -157.01 142.85 17.75 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.521 1.928 . . . . 0.0 111.421 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -68.61 -23.99 64.52 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.357 0.663 . . . . 0.0 112.114 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.79 -19.61 64.2 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.58 -33.83 18.11 Favored Glycine 0 N--CA 1.468 0.824 0 CA-C-N 119.771 1.168 . . . . 0.0 112.555 170.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.65 -46.09 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 117.955 0.878 . . . . 0.0 109.464 170.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -50.03 -47.45 53.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.459 1.104 . . . . 0.0 112.702 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -65.73 -35.75 81.62 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -70.94 -31.95 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.251 0.62 . . . . 0.0 111.319 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -77.25 -38.02 51.9 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.178 -0.951 . . . . 0.0 111.972 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.44 -17.14 62.39 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -176.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -94.64 137.32 33.89 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.711 1.204 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.2 m -80.11 -10.04 59.74 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -169.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -162.87 148.14 11.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.492 1.517 . . . . 0.0 111.43 -176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -136.88 154.44 50.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.593 1.557 . . . . 0.0 110.759 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -152.13 132.24 13.51 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.156 0.982 . . . . 0.0 110.642 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.4 tp -149.38 130.1 14.12 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.507 1.523 . . . . 0.0 108.884 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.0 t70 59.61 35.35 22.49 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.562 1.545 . . . . 0.0 112.585 -174.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 66.1 18.58 11.03 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.287 1.835 . . . . 0.0 113.895 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -117.95 131.83 56.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.289 1.836 . . . . 0.0 109.616 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.2 m -66.43 121.38 15.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.512 1.125 . . . . 0.0 108.677 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.1 pt -107.18 156.02 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.369 0.668 . . . . 0.0 111.103 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -128.69 80.61 72.31 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.4 1.48 . . . . 0.0 110.619 -173.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -86.36 140.62 6.49 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.921 3.081 . . . . 0.0 111.399 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -157.09 165.19 36.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.555 1.542 . . . . 0.0 112.156 -169.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.44 133.92 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 O-C-N 121.283 -0.886 . . . . 0.0 110.713 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 123.948 0.899 . . . . 0.0 113.356 -176.512 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.3 tttt . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.6 mtp -138.71 139.22 38.31 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 126.307 1.843 . . . . 0.0 112.379 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -82.6 139.24 33.9 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.195 1.798 . . . . 0.0 107.435 167.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mm -122.4 102.42 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.201 1.0 . . . . 0.0 109.316 -175.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.62 171.85 30.87 Favored Glycine 0 N--CA 1.474 1.179 0 C-N-CA 124.037 0.827 . . . . 0.0 113.254 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.44 18.0 78.08 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.187 0.899 . . . . 0.0 115.127 171.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.09 166.8 15.29 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.84 1.256 . . . . 0.0 112.258 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.2 t -82.26 151.27 26.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.441 0.696 . . . . 0.0 110.611 169.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -62.73 -10.83 14.11 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.786 -1.196 . . . . 0.0 113.2 169.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -98.92 -6.7 28.33 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.525 1.93 . . . . 0.0 112.874 174.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.2 m -69.16 140.96 54.68 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.76 1.164 . . . . 0.0 110.74 176.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.6 p -122.87 165.4 16.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.252 1.821 . . . . 0.0 110.374 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -66.13 -25.6 67.06 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 176.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.51 -36.69 71.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.88 0.472 . . . . 0.0 110.743 169.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.53 87.45 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.176 0.893 . . . . 0.0 112.341 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.14 -52.19 65.92 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 118.491 1.146 . . . . 0.0 110.753 169.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -56.3 -38.45 71.27 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.043 0.838 . . . . 0.0 112.401 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.55 -35.08 75.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.212 1.005 . . . . 0.0 112.952 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -88.02 -39.39 14.7 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.422 1.089 . . . . 0.0 113.166 177.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -82.63 -16.76 47.11 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -174.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 -11.59 44.32 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.568 1.08 . . . . 0.0 114.401 170.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -73.16 -26.2 61.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.815 1.246 . . . . 0.0 112.578 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -102.45 -19.98 14.71 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.878 1.271 . . . . 0.0 112.779 -173.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.9 165.4 22.13 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 126.198 1.856 . . . . 0.0 111.93 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.59 130.05 41.71 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 122.058 -0.672 . . . . 0.0 109.984 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.2 m -86.3 135.25 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-O 121.66 0.743 . . . . 0.0 111.05 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -83.02 -25.92 31.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.715 2.006 . . . . 0.0 112.403 172.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -162.42 145.62 11.44 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.724 1.61 . . . . 0.0 109.422 -174.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.7 m -141.31 140.86 33.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.777 1.631 . . . . 0.0 109.305 171.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.9 mt -144.22 153.14 41.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.562 1.545 . . . . 0.0 111.122 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -138.71 129.73 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.725 1.61 . . . . 0.0 107.5 169.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.6 mmt -92.32 51.61 1.8 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.581 1.153 . . . . 0.0 111.796 -169.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -70.17 149.06 47.93 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.208 1.003 . . . . 0.0 113.624 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -75.2 130.51 80.2 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.127 1.371 . . . . 0.0 110.311 170.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -81.57 -10.54 11.97 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.546 2.164 . . . . 0.0 114.5 -173.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.7 -34.44 14.65 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.615 1.098 . . . . 0.0 111.842 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.6 p -117.17 -10.34 10.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.12 1.368 . . . . 0.0 113.467 -172.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.26 2.01 2.21 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.838 2.455 . . . . 0.0 113.969 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -57.57 130.16 45.12 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.755 1.622 . . . . 0.0 110.281 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.0 p -69.86 -4.99 22.75 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.008 1.323 . . . . 0.0 114.444 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 61.24 7.77 1.79 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.904 1.682 . . . . 0.0 112.1 -167.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.09 18.67 79.76 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.004 -1.442 . . . . 0.0 114.087 -178.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -156.26 160.22 39.59 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.969 1.885 . . . . 0.0 115.586 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.43 -156.6 7.99 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 125.813 1.673 . . . . 0.0 113.048 174.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -147.05 151.63 37.23 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.397 1.479 . . . . 0.0 111.016 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.9 t -143.5 138.17 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.547 1.139 . . . . 0.0 110.086 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.6 m -118.55 138.95 52.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.295 1.438 . . . . 0.0 108.562 173.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -98.05 156.65 16.55 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.545 1.138 . . . . 0.0 112.167 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.5 mmt -65.12 -17.41 64.44 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 171.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -155.55 156.41 35.09 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.344 1.858 . . . . 0.0 110.884 173.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -58.53 -26.1 63.16 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.825 1.25 . . . . 0.0 113.466 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.09 -18.63 48.45 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.53 -27.62 26.77 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-N 119.435 1.016 . . . . 0.0 113.242 170.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.64 -45.6 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.326 1.063 . . . . 0.0 109.089 169.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -49.62 -47.26 49.87 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.578 1.151 . . . . 0.0 112.662 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -66.17 -35.98 81.88 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.74 -31.34 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.168 0.587 . . . . 0.0 111.222 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.8 mt -77.3 -38.2 51.14 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.226 -0.921 . . . . 0.0 112.091 174.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -16.92 62.68 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -176.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -95.61 136.9 35.41 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.929 1.291 . . . . 0.0 110.698 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -81.25 -11.02 59.49 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -168.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -163.45 148.18 10.97 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.227 1.411 . . . . 0.0 111.59 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -141.31 153.42 45.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.718 1.607 . . . . 0.0 110.659 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -152.18 132.57 13.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.03 0.932 . . . . 0.0 110.73 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.8 tp -149.2 130.93 15.04 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.609 1.563 . . . . 0.0 109.309 -177.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.5 t70 59.08 34.06 23.21 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.727 1.611 . . . . 0.0 112.669 -175.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 66.48 22.97 10.59 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.27 1.828 . . . . 0.0 113.721 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -123.53 134.66 53.83 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.594 1.558 . . . . 0.0 109.828 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.8 m -76.23 118.65 19.17 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 pt -100.21 158.43 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.838 0.855 . . . . 0.0 111.316 -174.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.51 77.37 73.55 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 125.313 1.445 . . . . 0.0 111.182 -171.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -84.6 147.4 10.98 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.747 2.965 . . . . 0.0 111.896 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -158.63 161.51 37.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.852 1.661 . . . . 0.0 111.784 -171.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.7 t -62.93 134.52 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 O-C-N 121.111 -0.993 . . . . 0.0 110.632 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.553 0 C-N-CA 124.016 0.926 . . . . 0.0 113.205 -175.785 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.9 tttt . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.6 mtp -141.13 137.91 33.09 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.52 1.528 . . . . 0.0 112.408 -171.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -81.82 137.31 35.3 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.164 1.785 . . . . 0.0 107.673 167.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.1 mm -120.33 98.83 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.132 0.973 . . . . 0.0 108.875 -175.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.93 165.87 24.53 Favored Glycine 0 N--CA 1.471 1.006 0 C-N-CA 124.283 0.944 . . . . 0.0 113.828 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.32 15.06 78.96 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.533 1.063 . . . . 0.0 115.282 172.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.7 mt -59.79 157.37 12.31 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.977 1.311 . . . . 0.0 112.541 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -71.14 146.12 49.37 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.965 -0.46 . . . . 0.0 109.779 168.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -58.7 -13.96 7.3 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.943 -1.098 . . . . 0.0 113.827 170.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.11 -9.86 44.07 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.863 1.265 . . . . 0.0 113.792 174.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.7 m -69.41 139.93 54.11 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.511 1.05 . . . . 0.0 111.237 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.6 p -118.95 163.3 17.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.191 1.797 . . . . 0.0 110.21 174.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.43 -25.86 65.23 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 177.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.17 -36.97 77.94 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.824 -0.548 . . . . 0.0 110.462 168.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.69 -33.39 84.21 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.426 1.013 . . . . 0.0 112.516 172.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.94 -50.66 71.26 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.668 1.234 . . . . 0.0 111.0 169.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -56.9 -39.77 75.01 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.504 1.047 . . . . 0.0 112.083 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.56 -33.84 71.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.981 0.912 . . . . 0.0 112.872 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -86.46 -40.83 14.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.448 1.099 . . . . 0.0 113.463 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -83.95 -19.14 35.17 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -172.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.61 -10.09 47.79 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.537 1.065 . . . . 0.0 114.301 171.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -70.32 -26.21 63.66 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.718 1.207 . . . . 0.0 112.362 171.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -103.03 -33.65 9.19 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.354 1.461 . . . . 0.0 111.772 -176.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.58 150.21 8.1 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 126.148 1.832 . . . . 0.0 111.137 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.33 145.38 47.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 117.786 0.793 . . . . 0.0 110.709 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 m -100.23 130.93 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.216 1.007 . . . . 0.0 110.506 -172.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -75.08 -28.78 60.47 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.431 1.893 . . . . 0.0 112.079 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -163.88 151.58 12.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.929 1.691 . . . . 0.0 109.611 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.0 p -145.9 143.78 29.78 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.401 1.081 . . . . 0.0 111.288 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.4 mt -144.67 144.69 31.36 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.212 1.405 . . . . 0.0 111.251 -170.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.67 127.91 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.289 1.435 . . . . 0.0 107.223 168.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.3 mmt -88.2 50.22 1.94 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.916 1.286 . . . . 0.0 111.607 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -66.83 149.31 50.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.097 1.359 . . . . 0.0 113.818 -171.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.33 120.57 82.06 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 125.472 1.509 . . . . 0.0 110.28 173.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.18 -14.41 28.67 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.543 2.162 . . . . 0.0 113.668 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -81.82 -32.16 31.38 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.411 1.005 . . . . 0.0 113.191 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 p -126.27 -12.07 6.3 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.73 1.612 . . . . 0.0 114.273 -172.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 67.04 8.65 6.31 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.573 2.349 . . . . 0.0 113.892 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -56.51 133.29 53.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.454 1.101 . . . . 0.0 109.912 169.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 p -58.5 -17.72 23.46 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 172.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.22 7.54 6.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.511 2.325 . . . . 0.0 112.757 -175.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.18 8.53 74.97 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-O 117.981 -1.455 . . . . 0.0 114.937 173.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -159.97 161.31 34.12 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.824 1.812 . . . . 0.0 115.123 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.01 -158.63 9.01 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 125.761 1.648 . . . . 0.0 112.865 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -147.43 149.58 32.98 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.717 1.607 . . . . 0.0 110.76 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.6 t -140.53 133.06 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.262 1.025 . . . . 0.0 110.083 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.2 m -109.05 134.5 51.59 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.009 1.724 . . . . 0.0 107.459 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -101.54 153.92 19.3 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.384 1.073 . . . . 0.0 112.25 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -66.81 -18.93 65.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.98 0.912 . . . . 0.0 113.364 172.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -156.42 154.49 30.55 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.772 1.629 . . . . 0.0 111.206 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -63.4 -24.26 67.76 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.538 1.135 . . . . 0.0 112.664 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.6 -25.31 64.53 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 178.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.93 -39.84 15.85 Favored Glycine 0 C--N 1.341 0.836 0 CA-C-N 118.953 0.797 . . . . 0.0 112.288 171.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.18 -48.97 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.931 0.892 . . . . 0.0 109.669 174.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -52.65 -46.14 67.01 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.887 1.275 . . . . 0.0 112.62 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.53 -36.39 82.58 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.73 -29.55 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.091 0.556 . . . . 0.0 111.115 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.82 -38.14 38.95 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.243 -0.91 . . . . 0.0 112.109 173.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.54 -23.24 62.59 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -84.33 142.57 30.09 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.819 1.248 . . . . 0.0 111.405 177.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 p -79.62 -24.5 41.91 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -169.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -155.74 147.42 23.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.413 1.485 . . . . 0.0 111.903 -174.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -136.0 153.9 51.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.777 1.631 . . . . 0.0 110.843 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -152.6 131.62 12.6 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.277 1.031 . . . . 0.0 110.529 -172.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.2 tp -149.26 126.97 11.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.355 1.462 . . . . 0.0 109.067 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.3 t70 58.21 38.33 26.23 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.793 1.637 . . . . 0.0 112.643 -171.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.6 m 66.69 17.0 10.53 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.079 1.751 . . . . 0.0 113.864 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -115.89 131.75 56.85 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.427 1.891 . . . . 0.0 109.481 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.7 m -66.63 121.87 16.35 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.463 1.105 . . . . 0.0 108.589 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.1 pt -108.08 155.88 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.445 0.698 . . . . 0.0 111.244 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -124.78 82.77 59.9 Favored Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 125.531 1.532 . . . . 0.0 110.359 -177.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -86.41 132.9 3.76 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.768 2.979 . . . . 0.0 110.233 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -153.74 164.05 38.98 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.166 1.386 . . . . 0.0 112.093 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.18 131.09 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 O-C-N 121.273 -0.892 . . . . 0.0 110.844 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.575 0 C-N-CA 123.615 0.766 . . . . 0.0 111.258 177.528 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.7 tttt . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.6 mtp -142.44 139.09 31.49 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 126.331 1.852 . . . . 0.0 111.985 -171.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -82.23 138.55 34.61 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.15 1.78 . . . . 0.0 108.276 167.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mm -121.52 100.67 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.174 0.99 . . . . 0.0 109.202 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.59 167.38 28.5 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 124.062 0.839 . . . . 0.0 113.222 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.96 18.94 79.34 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.13 0.871 . . . . 0.0 115.123 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.33 165.06 14.79 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.863 1.265 . . . . 0.0 112.259 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.5 t -82.6 153.12 25.62 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.471 0.709 . . . . 0.0 111.088 169.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -65.95 -10.81 42.53 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.971 -1.081 . . . . 0.0 112.342 168.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -95.92 -7.32 36.96 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.045 1.338 . . . . 0.0 113.047 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.3 m -68.43 142.7 55.3 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.499 1.045 . . . . 0.0 110.198 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.3 p -121.97 161.68 22.48 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.64 1.576 . . . . 0.0 109.637 173.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.47 -26.2 65.36 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.45 -35.62 75.83 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.872 -0.518 . . . . 0.0 110.598 168.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.57 -33.82 82.3 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.494 1.045 . . . . 0.0 112.429 172.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.77 -49.98 74.22 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 118.566 1.183 . . . . 0.0 110.739 169.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -57.12 -38.8 73.97 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.25 0.932 . . . . 0.0 112.256 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -60.1 -36.68 77.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.719 0.808 . . . . 0.0 112.859 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -84.15 -39.68 19.13 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.49 1.116 . . . . 0.0 113.409 177.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -86.47 -22.28 26.55 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.76 -12.27 52.77 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.071 1.32 . . . . 0.0 113.917 172.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -75.22 -20.03 59.47 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.811 1.245 . . . . 0.0 112.405 173.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -102.49 -39.31 7.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.527 1.531 . . . . 0.0 111.192 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.62 152.45 11.92 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.48 1.514 . . . . 0.0 112.029 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.87 145.81 55.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 117.777 0.788 . . . . 0.0 111.415 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.9 m -102.38 133.53 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.49 1.116 . . . . 0.0 111.421 -171.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.46 -24.25 34.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.034 2.133 . . . . 0.0 112.493 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -164.05 147.32 9.61 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.064 2.146 . . . . 0.0 108.386 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 p -149.59 142.45 24.73 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.848 1.259 . . . . 0.0 110.206 177.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.1 mt -146.53 143.46 28.92 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.289 1.436 . . . . 0.0 111.524 -171.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.3 t -135.74 129.58 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.379 1.471 . . . . 0.0 107.123 167.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.8 mmt -85.86 56.72 4.1 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.499 1.119 . . . . 0.0 112.866 -169.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -72.55 124.53 25.42 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.255 1.022 . . . . 0.0 112.691 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -70.47 131.71 88.05 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.263 1.425 . . . . 0.0 109.576 169.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -79.6 -12.69 13.68 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.117 1.878 . . . . 0.0 114.309 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -93.81 -40.87 9.95 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.686 1.13 . . . . 0.0 111.555 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.3 p -106.3 -9.68 16.7 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.073 0.949 . . . . 0.0 113.462 -174.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt 68.73 -0.63 2.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.699 2.4 . . . . 0.0 113.381 174.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -74.19 135.72 42.79 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.787 1.235 . . . . 0.0 110.688 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 97.2 p -88.02 -1.62 58.1 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.649 1.58 . . . . 0.0 113.644 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 57.74 11.99 1.5 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.815 1.646 . . . . 0.0 112.2 -168.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.99 27.07 73.52 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-O 118.22 -1.322 . . . . 0.0 114.057 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -153.96 162.38 41.26 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.754 1.777 . . . . 0.0 114.939 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.28 -159.2 9.45 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.901 1.715 . . . . 0.0 113.065 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -147.16 150.9 35.86 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.649 1.58 . . . . 0.0 111.037 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.5 t -142.87 133.64 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.653 1.181 . . . . 0.0 110.125 176.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.4 m -110.22 137.85 47.39 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.684 1.593 . . . . 0.0 108.182 170.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.53 150.31 22.81 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.112 0.965 . . . . 0.0 111.151 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 55.6 mtp -70.91 -6.26 37.06 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -155.78 156.52 34.94 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.677 2.391 . . . . 0.0 110.859 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -73.16 -27.77 61.85 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.62 -0.675 . . . . 0.0 112.226 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.12 68.97 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.57 -32.56 78.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 121.195 -0.94 . . . . 0.0 113.004 173.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.34 -47.61 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 118.127 0.963 . . . . 0.0 109.464 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.22 -43.06 74.13 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.891 0.876 . . . . 0.0 112.223 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -65.8 -35.29 80.27 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.6 t -71.28 -40.37 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 122.845 0.458 . . . . 0.0 110.718 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 mt -69.82 -35.49 74.85 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.264 0.626 . . . . 0.0 112.293 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.94 -11.22 60.45 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -105.29 139.99 39.1 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.381 1.472 . . . . 0.0 110.201 176.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.9 t -91.81 -5.6 53.18 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -168.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -162.06 145.39 11.92 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.982 1.313 . . . . 0.0 111.542 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -144.51 156.41 44.15 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.749 1.62 . . . . 0.0 110.637 -177.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -154.58 133.13 12.03 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.936 0.894 . . . . 0.0 110.887 -173.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.0 tp -149.75 129.39 13.16 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.723 1.609 . . . . 0.0 108.983 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.6 t70 57.71 34.8 24.91 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.658 1.583 . . . . 0.0 112.66 -170.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 m 65.92 17.91 10.94 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.882 1.673 . . . . 0.0 113.7 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -115.75 130.94 57.04 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.186 1.795 . . . . 0.0 109.102 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.8 m -73.72 117.08 15.07 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.453 1.101 . . . . 0.0 108.749 -177.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.3 pt -99.3 153.46 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.585 0.754 . . . . 0.0 110.927 -176.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -129.95 76.63 77.91 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.303 1.441 . . . . 0.0 111.094 -171.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -84.79 146.89 10.61 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.709 2.939 . . . . 0.0 112.013 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -159.37 162.42 35.84 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.824 1.65 . . . . 0.0 111.94 -170.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.64 134.99 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 O-C-N 121.186 -0.946 . . . . 0.0 110.913 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 123.886 0.875 . . . . 0.0 113.193 -175.755 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 119.73 -0.176 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 tttt 85.82 135.41 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 129.368 3.067 . . . . 0.0 113.755 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 81.7 mtp -143.05 137.55 29.32 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.091 1.756 . . . . 0.0 112.087 -169.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -80.05 140.17 36.62 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.901 1.68 . . . . 0.0 108.014 167.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 mm -124.02 101.14 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.44 1.096 . . . . 0.0 109.261 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.35 172.49 34.78 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 124.192 0.901 . . . . 0.0 113.201 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.87 17.96 75.72 Favored Glycine 0 CA--C 1.536 1.39 0 N-CA-C 115.378 0.911 . . . . 0.0 115.378 170.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.45 167.0 11.4 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.966 1.306 . . . . 0.0 112.205 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -82.85 153.51 25.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.408 0.683 . . . . 0.0 111.311 170.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -62.71 -12.94 27.01 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.885 -1.134 . . . . 0.0 112.693 168.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -95.12 -7.49 39.23 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.162 1.385 . . . . 0.0 113.202 174.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.6 m -71.4 138.13 48.89 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.42 1.009 . . . . 0.0 110.803 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.6 p -119.31 164.32 15.84 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.17 1.788 . . . . 0.0 109.754 172.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.3 -23.95 64.8 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.22 -35.55 71.55 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.93 -0.481 . . . . 0.0 110.566 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.71 -34.39 83.19 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.391 0.995 . . . . 0.0 112.223 172.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.35 -51.06 70.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.462 1.131 . . . . 0.0 110.688 169.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.5 ttt85 -56.44 -38.29 71.42 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.127 0.876 . . . . 0.0 112.314 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.91 -35.16 75.97 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.079 0.952 . . . . 0.0 113.062 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -87.19 -39.45 15.47 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.529 1.131 . . . . 0.0 113.304 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -83.32 -15.36 50.34 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 -174.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.92 -10.9 41.64 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.705 1.145 . . . . 0.0 114.443 171.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -73.04 -25.35 60.9 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.959 1.303 . . . . 0.0 112.605 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -102.39 -24.11 13.88 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.08 1.352 . . . . 0.0 112.404 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 168.36 167.78 29.5 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 125.646 1.593 . . . . 0.0 112.453 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -68.26 127.47 33.06 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 122.176 -0.603 . . . . 0.0 109.963 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 m -85.24 133.65 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.893 0.854 . . . . 0.0 110.768 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -83.44 -24.64 31.77 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.982 2.113 . . . . 0.0 112.757 176.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -164.13 148.43 9.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.407 1.883 . . . . 0.0 109.073 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.0 p -145.75 145.5 30.86 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.111 1.364 . . . . 0.0 110.257 171.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.8 mt -148.28 147.31 29.19 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.511 1.524 . . . . 0.0 110.944 -174.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.2 t -132.53 126.17 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.971 1.308 . . . . 0.0 107.625 168.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.4 mmt -85.98 52.85 2.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.309 1.444 . . . . 0.0 112.031 -170.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -73.06 148.71 43.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.481 1.513 . . . . 0.0 113.582 -175.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -74.68 129.65 83.18 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 125.004 1.322 . . . . 0.0 109.728 170.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.9 -10.91 12.66 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.482 2.121 . . . . 0.0 114.284 -173.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -91.51 -45.28 8.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.488 1.04 . . . . 0.0 110.776 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.0 p -102.57 -11.65 18.34 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.146 0.979 . . . . 0.0 113.194 -172.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 65.73 3.31 2.43 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.977 2.511 . . . . 0.0 113.572 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -56.78 129.01 39.46 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.532 1.533 . . . . 0.0 110.194 171.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.2 p -72.03 -6.32 41.43 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.844 1.258 . . . . 0.0 114.26 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 61.33 4.79 0.99 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.138 1.775 . . . . 0.0 112.414 -167.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.16 19.13 79.84 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 118.14 -1.367 . . . . 0.0 114.138 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -156.79 160.86 39.64 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.97 1.885 . . . . 0.0 115.061 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.71 -157.04 8.28 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.87 1.7 . . . . 0.0 113.261 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -146.06 150.54 36.16 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.734 1.613 . . . . 0.0 111.096 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.6 t -143.34 139.9 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.859 1.264 . . . . 0.0 110.057 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.3 m -119.76 139.7 51.89 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.987 1.715 . . . . 0.0 108.607 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -101.06 153.57 19.45 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.375 1.07 . . . . 0.0 111.849 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.6 mmt -65.63 -13.77 59.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.188 0.995 . . . . 0.0 113.669 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -154.53 154.26 32.81 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.088 1.755 . . . . 0.0 110.93 173.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -59.6 -25.99 65.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.622 1.169 . . . . 0.0 112.957 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -23.82 59.3 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.58 -33.04 28.91 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-N 119.082 0.855 . . . . 0.0 112.954 172.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.14 -47.39 90.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 117.848 0.824 . . . . 0.0 109.162 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -51.66 -45.52 63.42 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.488 1.115 . . . . 0.0 112.72 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -65.49 -39.07 91.48 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.99 -29.39 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.094 0.558 . . . . 0.0 111.12 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 mt -78.77 -38.57 38.27 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.297 -0.877 . . . . 0.0 112.149 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.2 -25.1 63.26 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -83.06 139.99 32.93 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.449 1.1 . . . . 0.0 111.049 176.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -83.67 -14.62 51.39 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 -169.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -159.02 148.08 18.57 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.04 1.336 . . . . 0.0 111.79 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -138.35 154.27 48.96 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.7 1.6 . . . . 0.0 110.701 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -153.91 132.44 12.11 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.289 1.036 . . . . 0.0 110.621 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -148.68 127.44 12.55 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.362 1.465 . . . . 0.0 108.98 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 57.92 38.0 26.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.883 1.673 . . . . 0.0 112.821 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.5 m 66.97 17.16 10.49 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.174 1.79 . . . . 0.0 114.173 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -117.14 131.66 56.84 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.833 1.653 . . . . 0.0 109.652 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -67.69 117.08 9.13 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.757 1.223 . . . . 0.0 108.712 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 pt -98.06 157.38 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-O 121.341 0.591 . . . . 0.0 111.114 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -129.14 78.84 75.47 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.475 1.51 . . . . 0.0 110.921 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -87.83 142.55 5.74 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.692 2.928 . . . . 0.0 111.774 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -158.27 164.22 36.65 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.758 1.623 . . . . 0.0 111.936 -170.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.55 134.21 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 O-C-N 121.1 -1.0 . . . . 0.0 110.622 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.34 135.29 36.68 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.973 0.909 . . . . 0.0 112.899 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -61.68 136.26 94.61 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 123.97 0.908 . . . . 0.0 109.83 169.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -69.44 139.1 40.47 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.399 2.733 . . . . 0.0 112.906 -169.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -148.41 167.26 25.73 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 127.221 2.208 . . . . 0.0 111.363 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -118.74 117.64 29.45 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.149 1.379 . . . . 0.0 110.852 -176.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.28 144.22 57.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.835 0.854 . . . . 0.0 111.414 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.77 134.9 20.48 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 124.658 1.183 . . . . 0.0 110.675 -172.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -77.21 150.33 29.03 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.534 2.822 . . . . 0.0 111.735 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.454 1.502 . . . . 0.0 111.886 179.586 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 O4'-C1'-N19 110.386 2.186 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.177 0 O4'-C1'-N19 110.826 2.626 . 0.115 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 100.081 -2.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 1 O4'-C1'-N19 113.502 5.302 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 O4'-C1'-N19 111.405 3.205 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 119.966 -0.064 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -144.63 148.52 34.42 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.177 -0.952 . . . . 0.0 113.216 -172.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.9 mtp -138.76 136.12 35.39 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 125.676 1.59 . . . . 0.0 111.929 -172.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -81.3 138.01 35.74 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.836 1.654 . . . . 0.0 107.408 167.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.9 mm -119.41 99.55 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.108 0.963 . . . . 0.0 108.65 -175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.41 169.66 29.18 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.207 0.908 . . . . 0.0 113.237 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.45 16.66 79.89 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.009 0.814 . . . . 0.0 114.974 172.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.75 164.83 16.27 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.69 1.196 . . . . 0.0 112.653 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 t -80.1 149.6 30.56 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.623 0.769 . . . . 0.0 109.698 168.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -60.23 -13.67 13.7 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.857 -1.152 . . . . 0.0 113.578 169.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -101.51 0.46 36.63 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.003 1.321 . . . . 0.0 113.336 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.9 m -69.41 138.28 53.46 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.615 1.098 . . . . 0.0 110.045 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.1 p -117.85 162.33 18.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.896 1.678 . . . . 0.0 110.176 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.05 -24.81 64.22 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.38 -36.32 76.69 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.0 -0.437 . . . . 0.0 110.289 168.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.05 -34.92 82.77 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.477 1.037 . . . . 0.0 112.436 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.48 -51.71 68.3 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.545 1.173 . . . . 0.0 110.472 169.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -56.47 -38.77 72.16 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.003 0.82 . . . . 0.0 112.372 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.29 -35.39 77.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.056 0.942 . . . . 0.0 112.757 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -85.22 -39.62 17.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.412 1.085 . . . . 0.0 113.256 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -84.14 -16.9 41.89 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -173.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.29 -10.69 49.26 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.543 1.068 . . . . 0.0 114.375 170.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.18 -26.05 61.92 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.673 1.189 . . . . 0.0 112.491 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -103.43 -29.99 10.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.789 1.236 . . . . 0.0 112.654 -173.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.35 162.93 28.48 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 125.76 1.648 . . . . 0.0 112.143 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -67.45 128.33 36.03 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 117.319 0.56 . . . . 0.0 110.06 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 m -86.32 136.23 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 121.473 0.654 . . . . 0.0 110.84 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -84.38 -25.68 28.93 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.191 1.796 . . . . 0.0 112.603 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -166.29 146.02 6.04 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.836 2.055 . . . . 0.0 108.6 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -139.59 147.51 41.23 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.983 1.313 . . . . 0.0 110.299 171.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mt -149.74 141.93 24.08 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.052 1.341 . . . . 0.0 111.103 -172.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -127.55 125.67 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 167.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.5 mmm -91.77 54.83 2.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.191 0.996 . . . . 0.0 111.673 -168.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -74.09 157.1 36.65 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 -169.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -70.0 125.72 92.11 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 124.702 1.201 . . . . 0.0 109.071 168.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.76 -15.93 16.72 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 121.938 1.758 . . . . 0.0 113.467 -177.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.43 -48.24 12.16 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.802 0.841 . . . . 0.0 111.62 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.9 p -109.75 -8.08 14.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.524 1.53 . . . . 0.0 113.583 -169.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 67.89 2.37 3.07 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.02 2.528 . . . . 0.0 113.728 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -55.34 128.98 36.71 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.428 1.491 . . . . 0.0 110.489 172.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.9 p -63.55 -10.03 16.13 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 62.29 9.31 3.19 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.251 1.82 . . . . 0.0 112.461 -169.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.29 15.63 81.32 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 117.68 -1.622 . . . . 0.0 114.353 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -153.99 156.54 37.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.992 1.896 . . . . 0.0 115.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.14 -159.76 9.15 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.123 1.821 . . . . 0.0 112.931 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -149.12 146.29 27.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.169 1.788 . . . . 0.0 110.61 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.0 t -142.24 132.54 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.291 1.036 . . . . 0.0 110.381 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 m -110.18 142.44 41.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.751 2.02 . . . . 0.0 108.175 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -110.5 153.8 24.56 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.297 1.039 . . . . 0.0 111.984 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.9 mmt -68.02 -15.92 63.81 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.264 1.025 . . . . 0.0 113.524 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -157.52 156.23 31.67 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.099 1.76 . . . . 0.0 111.045 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -60.28 -31.06 69.88 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.507 1.123 . . . . 0.0 112.458 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.63 -19.42 57.98 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -175.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.97 -26.38 24.4 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.579 1.082 . . . . 0.0 113.598 170.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.93 -45.85 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.463 1.131 . . . . 0.0 108.941 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -42.1 80.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.692 1.197 . . . . 0.0 112.563 -177.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -63.67 -38.86 92.73 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -70.73 -30.52 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.226 0.611 . . . . 0.0 111.181 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.53 -38.6 48.43 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.499 -0.75 . . . . 0.0 111.981 173.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.59 -22.98 62.5 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -87.47 136.7 32.84 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.732 1.213 . . . . 0.0 110.78 175.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m -83.92 -9.77 58.47 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 -169.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -162.55 146.15 11.49 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.004 1.322 . . . . 0.0 111.712 -172.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -143.62 154.48 43.6 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.659 1.584 . . . . 0.0 110.722 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -152.93 132.99 13.4 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.119 0.968 . . . . 0.0 110.748 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.7 tp -150.74 132.31 14.81 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.644 1.578 . . . . 0.0 109.309 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 t70 57.15 34.8 25.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.611 1.564 . . . . 0.0 112.604 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 m 66.51 19.91 10.87 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.073 1.749 . . . . 0.0 113.725 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -120.11 135.27 55.01 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.715 1.606 . . . . 0.0 109.737 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.0 m -75.04 118.48 18.04 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.488 1.115 . . . . 0.0 108.62 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.8 pt -102.99 158.13 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.89 0.876 . . . . 0.0 111.553 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -127.69 83.48 65.96 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 125.613 1.565 . . . . 0.0 110.243 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -87.55 134.35 3.35 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.786 2.991 . . . . 0.0 110.449 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -154.42 164.49 38.56 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.284 1.434 . . . . 0.0 112.153 -169.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.89 132.51 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 121.188 -0.945 . . . . 0.0 110.999 -174.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.19 135.46 37.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.967 0.907 . . . . 0.0 112.641 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -59.75 137.85 90.08 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.137 0.975 . . . . 0.0 110.588 169.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.05 -179.14 4.04 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 124.088 3.192 . . . . 0.0 112.878 -171.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -48.17 129.78 15.41 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.795 1.638 . . . . 0.0 112.764 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . 0.263 0.5 OUTLIER -138.4 17.42 2.75 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 178.197 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -166.76 177.54 6.42 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.488 2.315 . . . . 0.0 110.526 169.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.49 150.97 97.59 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 124.367 1.067 . . . . 0.0 112.131 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.44 146.43 50.1 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.778 2.986 . . . . 0.0 112.454 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.38 1.872 . . . . 0.0 110.948 179.243 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 0 C5'-C4'-C3' 111.183 -2.878 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.235 1 O4'-C1'-N19 112.482 4.282 . 0.517 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 O5'-C5'-C4' 113.261 2.186 . 0.221 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 1 O4'-C1'-N19 114.551 6.351 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 O5'-C5'-C4' 114.216 2.869 . 0.18 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 119.993 -0.051 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -138.04 148.03 44.69 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.124 -0.985 . . . . 0.0 113.036 -171.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.7 mtp -139.23 136.73 35.28 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.711 1.604 . . . . 0.0 112.152 -173.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -80.78 136.44 36.13 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.806 1.643 . . . . 0.0 107.438 167.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mm -118.44 99.22 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.02 172.99 37.4 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.111 0.862 . . . . 0.0 112.777 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.64 15.62 73.48 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.947 0.784 . . . . 0.0 114.842 172.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.58 163.34 16.37 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.418 1.087 . . . . 0.0 111.953 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.3 t -81.98 153.0 26.45 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.893 -0.504 . . . . 0.0 111.267 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.64 -9.64 14.83 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.128 -0.983 . . . . 0.0 113.014 168.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -99.45 -5.43 29.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.278 1.431 . . . . 0.0 113.489 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.4 m -71.57 142.66 50.04 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.59 1.087 . . . . 0.0 110.964 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.5 p -123.17 162.75 21.92 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.209 1.804 . . . . 0.0 110.291 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.48 -28.96 69.58 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.89 -36.46 78.09 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.217 0.462 . . . . 0.0 110.846 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.65 -34.04 86.25 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 118.993 -0.893 . . . . 0.0 112.366 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.02 -51.86 66.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.6 1.2 . . . . 0.0 110.691 169.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -56.53 -38.27 71.63 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.141 0.882 . . . . 0.0 112.348 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.51 -34.45 74.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.136 0.975 . . . . 0.0 112.854 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -88.78 -39.05 14.2 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.51 1.124 . . . . 0.0 113.295 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -84.25 -17.23 40.4 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -173.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.01 -9.94 49.36 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.578 1.085 . . . . 0.0 114.385 170.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -71.4 -25.98 62.58 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.576 1.151 . . . . 0.0 112.367 171.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -103.58 -37.45 7.54 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.009 1.323 . . . . 0.0 111.708 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.13 159.48 27.77 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.118 1.342 . . . . 0.0 112.386 174.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.76 133.08 52.86 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.905 0.482 . . . . 0.0 110.027 175.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.7 m -92.61 134.78 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.835 0.826 . . . . 0.0 111.273 -175.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -85.1 -25.22 27.66 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.041 2.136 . . . . 0.0 112.653 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -163.26 146.03 10.26 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.97 2.108 . . . . 0.0 108.294 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 p -148.16 135.03 20.08 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.261 1.425 . . . . 0.0 109.553 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.87 152.1 40.72 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.28 1.432 . . . . 0.0 111.124 -170.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -136.8 127.99 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.654 1.582 . . . . 0.0 107.1 169.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.3 mmt -90.54 49.29 1.65 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.375 1.07 . . . . 0.0 112.168 -169.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -67.32 146.13 54.41 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -74.59 132.17 78.7 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.634 1.574 . . . . 0.0 110.174 173.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.59 -12.12 12.59 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.473 2.116 . . . . 0.0 114.001 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.6 mt -90.9 -39.42 12.3 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.461 1.028 . . . . 0.0 111.567 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -109.87 -12.84 14.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.451 1.501 . . . . 0.0 113.344 -173.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 65.84 2.32 2.13 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.776 2.431 . . . . 0.0 113.599 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -57.56 130.76 47.8 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.259 1.824 . . . . 0.0 110.062 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 85.9 p -69.77 -6.1 29.88 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 62.45 7.01 2.15 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.157 1.783 . . . . 0.0 112.277 -168.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.16 14.65 82.37 Favored Glycine 0 C--N 1.341 0.851 0 C-N-CA 125.175 1.369 . . . . 0.0 114.596 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -156.27 161.07 40.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.756 1.778 . . . . 0.0 115.411 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.75 -157.01 8.05 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 126.054 1.787 . . . . 0.0 112.709 174.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -146.63 149.65 33.92 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.072 1.349 . . . . 0.0 111.159 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.9 t -141.47 133.09 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.287 1.035 . . . . 0.0 110.279 172.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.3 m -110.87 141.33 44.4 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.433 1.893 . . . . 0.0 107.933 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -108.81 153.58 23.3 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.405 1.082 . . . . 0.0 111.76 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.2 mmt -67.59 -16.23 64.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.202 1.001 . . . . 0.0 113.473 173.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -156.61 156.0 32.78 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.998 1.719 . . . . 0.0 111.14 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -62.01 -24.27 66.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.753 1.221 . . . . 0.0 113.061 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.81 -24.94 62.65 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.75 -38.35 16.76 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-N 119.188 0.904 . . . . 0.0 112.527 172.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.66 -48.63 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.897 0.879 . . . . 0.0 109.502 174.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.77 -46.2 67.47 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.682 1.193 . . . . 0.0 112.662 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -66.14 -36.66 83.71 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.04 -32.24 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.009 0.524 . . . . 0.0 111.041 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.7 mt -76.5 -37.82 56.21 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.446 -0.784 . . . . 0.0 112.081 174.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.35 -13.94 62.36 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -100.51 133.7 44.57 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.247 1.419 . . . . 0.0 110.423 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.8 m -88.14 -3.87 58.82 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -169.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.1 tpt85 -158.54 135.98 10.14 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.399 1.48 . . . . 0.0 110.925 -169.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -140.61 160.97 38.85 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.057 1.343 . . . . 0.0 110.877 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -159.49 135.17 8.54 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.936 0.894 . . . . 0.0 111.616 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -152.56 132.03 12.97 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.742 1.617 . . . . 0.0 108.588 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.9 t70 59.34 30.22 19.9 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.284 1.433 . . . . 0.0 112.296 -169.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.9 m 64.56 18.07 11.19 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.112 1.765 . . . . 0.0 113.358 -175.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -114.42 136.45 52.98 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.013 1.725 . . . . 0.0 109.821 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.6 m -77.36 109.62 11.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.054 0.941 . . . . 0.0 109.391 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.4 pt -93.81 157.52 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 121.326 0.584 . . . . 0.0 111.552 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -134.29 81.24 50.36 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 125.58 1.552 . . . . 0.0 110.525 -172.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -87.38 143.67 6.54 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.971 3.114 . . . . 0.0 111.722 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -157.65 162.15 38.65 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.57 1.548 . . . . 0.0 112.222 -170.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.01 133.57 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 121.336 -0.853 . . . . 0.0 110.657 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.68 141.84 40.78 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.765 0.826 . . . . 0.0 111.876 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -56.95 147.83 52.58 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 123.917 0.887 . . . . 0.0 112.034 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -53.96 142.1 65.51 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 124.127 3.218 . . . . 0.0 113.562 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -148.25 152.89 37.94 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.22 1.808 . . . . 0.0 111.565 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -139.17 120.35 14.71 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.344 1.857 . . . . 0.0 109.487 173.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -167.5 166.4 14.27 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.444 1.897 . . . . 0.0 111.207 -174.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -154.72 160.14 31.2 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.793 1.637 . . . . 0.0 111.327 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.51 158.79 47.33 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.885 2.39 . . . . 0.0 110.353 168.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.252 1.186 0 C-N-CA 125.643 1.577 . . . . 0.0 111.498 -179.767 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 0 O4'-C4'-C3' 108.764 2.331 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.222 0 O4'-C1'-N19 111.651 3.451 . 0.052 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 O5'-C5'-C4' 113.374 2.267 . 0.207 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 1 O4'-C1'-N19 113.388 5.188 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 O4'-C1'-N19 111.487 3.287 . 0.117 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.8 tttt 91.65 135.73 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 129.757 3.223 . . . . 0.0 113.831 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.8 mtp -142.69 138.11 30.35 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 126.291 1.837 . . . . 0.0 111.802 -171.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -81.3 138.42 35.71 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.709 1.603 . . . . 0.0 107.158 167.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 mm -118.13 105.04 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.163 0.985 . . . . 0.0 108.561 -176.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.61 166.45 21.69 Favored Glycine 0 N--CA 1.473 1.116 0 C-N-CA 124.301 0.953 . . . . 0.0 113.15 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.42 16.06 80.09 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.371 0.986 . . . . 0.0 114.951 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.32 166.1 8.61 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.441 1.121 . . . . 0.0 112.342 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -83.04 151.48 25.79 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.247 0.619 . . . . 0.0 111.005 171.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -65.3 -7.06 11.55 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 120.886 -1.134 . . . . 0.0 114.037 173.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -116.7 9.06 13.93 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.755 1.622 . . . . 0.0 113.396 173.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.0 m -67.96 140.67 56.43 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.314 0.961 . . . . 0.0 109.608 171.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.2 p -116.8 159.97 21.53 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.609 1.564 . . . . 0.0 110.281 175.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -68.18 -25.14 65.09 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.06 -36.59 75.09 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.937 -0.477 . . . . 0.0 110.549 168.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.57 -34.06 86.45 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.564 1.078 . . . . 0.0 112.376 172.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.96 -51.24 70.12 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 118.407 1.104 . . . . 0.0 111.005 169.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.6 -39.92 74.41 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.213 0.915 . . . . 0.0 112.134 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.38 -34.0 71.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.089 0.956 . . . . 0.0 112.954 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.71 -41.18 13.53 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.284 1.034 . . . . 0.0 113.363 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -81.47 -18.72 44.25 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -173.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.94 -10.81 48.22 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.654 1.121 . . . . 0.0 114.458 171.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.85 -26.9 63.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.6 1.16 . . . . 0.0 112.426 171.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -100.25 -35.61 9.57 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.38 1.472 . . . . 0.0 111.36 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.98 153.7 11.53 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 126.226 1.87 . . . . 0.0 111.24 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.86 144.85 54.26 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 117.98 0.89 . . . . 0.0 110.743 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 m -99.68 132.52 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 124.171 0.988 . . . . 0.0 110.888 -172.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -80.62 -23.79 39.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.526 1.93 . . . . 0.0 112.396 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -165.15 146.04 7.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.05 2.14 . . . . 0.0 108.481 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.98 143.6 28.55 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.742 1.217 . . . . 0.0 110.215 173.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.6 mt -148.63 145.04 27.58 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.046 1.338 . . . . 0.0 111.433 -171.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.88 127.41 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.034 1.334 . . . . 0.0 107.631 168.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.7 mmt -88.1 43.62 1.14 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.125 1.37 . . . . 0.0 112.518 -170.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -69.52 142.96 53.56 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -82.61 133.64 49.16 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 124.825 1.25 . . . . 0.0 111.337 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -73.37 -15.4 25.11 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.948 2.432 . . . . 0.0 113.456 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.24 -30.98 58.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.553 1.141 . . . . 0.0 113.555 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.7 p -136.79 -6.24 1.92 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.674 1.59 . . . . 0.0 114.174 -173.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 64.38 7.21 3.46 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.586 2.354 . . . . 0.0 113.72 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -68.93 133.57 48.38 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.851 1.26 . . . . 0.0 110.555 176.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.7 p -77.2 -9.16 58.6 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.348 1.459 . . . . 0.0 114.082 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 60.24 10.11 2.21 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.764 1.626 . . . . 0.0 112.242 -167.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.49 23.18 76.09 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-O 117.562 -1.688 . . . . 0.0 114.434 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -149.96 157.67 43.4 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.338 2.069 . . . . 0.0 116.343 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.4 -160.13 9.96 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 126.483 1.992 . . . . 0.0 112.665 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -146.94 149.14 32.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.586 1.555 . . . . 0.0 111.145 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.6 t -143.14 135.91 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.536 1.134 . . . . 0.0 110.326 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.9 m -112.84 139.53 48.4 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.074 1.75 . . . . 0.0 108.201 171.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -103.48 149.86 24.44 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.284 1.034 . . . . 0.0 111.175 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.6 mtp -69.68 -10.62 59.0 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -152.89 152.47 31.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.176 1.791 . . . . 0.0 110.766 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -60.63 -25.98 66.7 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.717 1.207 . . . . 0.0 112.781 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.23 -24.22 58.51 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.33 -35.51 26.32 Favored Glycine 0 N--CA 1.469 0.871 0 CA-C-N 119.062 0.847 . . . . 0.0 112.7 172.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.71 -48.02 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 117.89 0.845 . . . . 0.0 109.31 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.8 -44.98 63.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.338 1.055 . . . . 0.0 112.695 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -67.31 -37.61 83.64 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.61 -30.5 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.064 0.545 . . . . 0.0 111.012 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -77.78 -38.63 46.25 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.437 -0.789 . . . . 0.0 112.087 173.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.22 -19.51 63.15 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -94.11 135.81 35.07 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.009 1.324 . . . . 0.0 110.661 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m -83.19 -9.76 58.99 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -169.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -162.77 146.36 11.22 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.021 1.328 . . . . 0.0 111.618 -173.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -143.16 156.77 44.85 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.701 1.6 . . . . 0.0 110.774 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -153.43 132.57 12.63 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.312 -0.868 . . . . 0.0 111.229 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.9 tp -149.89 132.34 15.67 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.036 1.734 . . . . 0.0 108.804 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.5 t70 59.38 30.11 19.76 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.267 1.427 . . . . 0.0 112.498 -171.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m 65.14 17.29 10.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.242 1.817 . . . . 0.0 113.656 -174.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -112.86 136.1 52.88 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.795 1.638 . . . . 0.0 109.413 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.3 m -79.37 115.25 18.9 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.897 0.879 . . . . 0.0 109.124 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.1 pt -101.72 148.33 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.61 0.764 . . . . 0.0 111.247 -175.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -129.09 71.53 81.98 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 125.51 1.524 . . . . 0.0 111.286 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.04 149.27 28.53 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 124.113 3.208 . . . . 0.0 112.227 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -159.53 162.4 35.44 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.684 1.594 . . . . 0.0 112.108 -170.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.85 135.45 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 123.993 0.917 . . . . 0.0 110.889 -176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.02 143.86 31.26 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -175.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -59.76 157.73 27.2 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 125.675 1.59 . . . . 0.0 111.058 167.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -58.76 165.58 7.91 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.799 2.999 . . . . 0.0 113.723 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.67 160.52 38.98 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.728 1.611 . . . . 0.0 113.55 -168.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -141.33 139.35 33.58 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.35 1.86 . . . . 0.0 110.351 175.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -160.86 173.62 15.06 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.821 1.649 . . . . 0.0 111.536 -174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.61 146.51 22.49 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.647 1.579 . . . . 0.0 110.755 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.83 113.49 3.73 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.239 2.626 . . . . 0.0 110.092 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.53 1.532 . . . . 0.0 111.865 -172.807 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 O4'-C4'-C3' 108.296 1.997 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 O4'-C1'-N19 111.401 3.201 . 0.102 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 C5'-C4'-C3' 110.886 -3.076 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 1 O4'-C1'-N19 114.263 6.063 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 O4'-C1'-N19 110.815 2.615 . 0.013 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.9 tttt 97.84 139.02 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 130.377 3.471 . . . . 0.0 113.522 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 81.8 mtp -143.31 139.11 29.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.309 1.844 . . . . 0.0 111.904 -171.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -84.07 138.51 33.02 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.885 1.674 . . . . 0.0 107.525 167.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.8 mm -119.61 106.04 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.124 0.97 . . . . 0.0 108.948 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.8 166.54 20.43 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.206 0.908 . . . . 0.0 113.423 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.78 15.19 80.9 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.388 0.994 . . . . 0.0 115.066 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.58 162.47 8.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.849 1.26 . . . . 0.0 112.369 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -77.41 147.88 35.79 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.791 -0.568 . . . . 0.0 109.874 168.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -58.77 -17.96 27.8 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -106.63 6.93 30.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.079 1.352 . . . . 0.0 113.744 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.3 m -65.05 133.12 50.95 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.52 1.054 . . . . 0.0 109.416 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -108.7 161.86 14.7 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.462 1.505 . . . . 0.0 110.288 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.01 -22.86 64.04 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.26 -37.0 71.94 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.999 -0.438 . . . . 0.0 110.332 167.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.62 -33.33 84.14 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.738 1.161 . . . . 0.0 112.524 173.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.21 -51.23 69.86 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.418 1.109 . . . . 0.0 111.217 169.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -57.19 -39.39 75.27 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.419 1.009 . . . . 0.0 112.05 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.64 -34.78 73.24 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.92 0.888 . . . . 0.0 113.064 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -86.57 -40.65 14.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.383 1.073 . . . . 0.0 113.388 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -82.41 -17.59 44.91 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -173.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.1 -11.17 44.21 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.653 1.12 . . . . 0.0 114.429 171.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -71.41 -26.24 62.67 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.819 1.248 . . . . 0.0 112.44 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -100.93 -26.03 13.88 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.387 1.475 . . . . 0.0 111.874 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 166.49 158.95 11.56 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 126.32 1.914 . . . . 0.0 111.629 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.54 145.81 55.56 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 117.893 0.846 . . . . 0.0 110.707 175.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.5 m -104.86 133.8 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 124.676 1.191 . . . . 0.0 111.132 -170.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -79.76 -24.72 41.33 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.008 2.123 . . . . 0.0 112.33 176.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -163.89 145.68 9.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.429 1.892 . . . . 0.0 109.065 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.3 m -143.19 137.36 28.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.919 1.687 . . . . 0.0 108.961 172.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.4 mt -145.63 145.83 31.1 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.058 1.343 . . . . 0.0 111.599 -171.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.68 128.96 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.006 1.323 . . . . 0.0 108.158 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.8 mmt -93.56 47.33 1.23 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.294 1.437 . . . . 0.0 111.68 -170.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -63.03 160.11 15.75 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.987 1.315 . . . . 0.0 114.54 -171.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -76.93 129.9 77.36 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 125.458 1.503 . . . . 0.0 109.953 169.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.76 -12.47 13.55 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.48 2.12 . . . . 0.0 114.268 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -87.96 -44.02 11.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.517 1.053 . . . . 0.0 111.064 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.5 p -106.05 -12.78 15.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.204 1.402 . . . . 0.0 113.265 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 66.16 3.6 2.76 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.906 2.483 . . . . 0.0 113.418 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -57.55 127.98 34.74 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.409 1.884 . . . . 0.0 110.253 172.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.1 p -60.2 -12.1 7.87 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 62.17 10.94 4.05 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.424 1.89 . . . . 0.0 112.477 -169.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.54 14.91 81.62 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 117.445 -1.753 . . . . 0.0 114.563 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -153.27 157.0 39.5 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.509 2.154 . . . . 0.0 116.443 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.31 -161.54 10.66 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.348 1.927 . . . . 0.0 113.117 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -146.56 148.86 32.58 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.824 1.65 . . . . 0.0 110.758 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.4 t -143.83 138.47 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.609 1.163 . . . . 0.0 110.132 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.1 m -121.73 135.32 54.94 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.572 1.549 . . . . 0.0 108.497 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -95.06 154.76 17.03 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.022 0.929 . . . . 0.0 112.111 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -65.42 -16.5 63.69 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -154.75 154.57 33.04 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.211 1.804 . . . . 0.0 111.083 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -58.64 -26.7 64.01 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.768 1.227 . . . . 0.0 113.029 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.3 -23.69 57.19 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.54 -33.43 28.04 Favored Glycine 0 N--CA 1.47 0.908 0 CA-C-N 119.076 0.853 . . . . 0.0 112.904 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.83 -47.58 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.937 0.869 . . . . 0.0 109.13 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -51.87 -45.02 63.93 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.448 1.099 . . . . 0.0 112.641 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.53 -38.62 87.56 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.48 -29.38 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.975 0.51 . . . . 0.0 110.966 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.3 mt -78.78 -38.81 37.56 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.282 -0.886 . . . . 0.0 112.075 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.54 -24.05 63.67 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -87.71 135.26 33.45 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.673 1.189 . . . . 0.0 110.627 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -81.14 -11.44 59.46 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 -169.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -163.01 147.61 11.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.107 1.363 . . . . 0.0 111.696 -173.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -142.02 155.62 45.42 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.833 1.653 . . . . 0.0 110.718 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -153.77 132.38 12.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.078 0.951 . . . . 0.0 110.731 -174.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.4 tp -148.67 127.83 12.88 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.694 1.598 . . . . 0.0 109.036 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.0 t70 59.11 36.98 24.29 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.645 1.578 . . . . 0.0 112.562 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 m 65.78 19.54 11.37 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.898 1.679 . . . . 0.0 113.588 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -120.17 129.47 54.14 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.405 1.882 . . . . 0.0 109.126 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.5 m -73.98 120.0 18.97 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.506 1.122 . . . . 0.0 108.73 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -103.5 152.61 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.78 0.832 . . . . 0.0 111.234 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -128.19 75.28 78.95 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.557 1.543 . . . . 0.0 110.933 -172.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -82.33 147.52 14.37 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.833 3.022 . . . . 0.0 111.851 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -157.98 159.65 36.66 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.572 1.549 . . . . 0.0 111.977 -169.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.27 135.58 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 O-C-N 121.319 -0.863 . . . . 0.0 110.731 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.55 142.09 34.47 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -57.77 166.13 2.05 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 126.009 1.724 . . . . 0.0 112.807 169.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -53.11 167.55 0.7 Allowed 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 124.558 3.506 . . . . 0.0 115.001 174.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -154.34 145.72 23.03 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.423 1.489 . . . . 0.0 112.142 -168.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -141.89 112.54 7.21 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.187 1.795 . . . . 0.0 110.248 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -163.58 145.38 9.46 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.368 1.867 . . . . 0.0 110.466 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -159.68 164.91 19.12 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 125.381 1.472 . . . . 0.0 111.846 -174.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -63.27 155.72 60.05 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.544 2.829 . . . . 0.0 111.897 168.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt . . . . . 0 C--O 1.253 1.268 0 C-N-CA 126.811 2.044 . . . . 0.0 112.743 175.785 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.392 0 O4'-C4'-C3' 108.262 1.973 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.036 0 O4'-C1'-N19 112.03 3.83 . 0.486 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C5'-C4'-C3' 111.441 -2.706 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 1 O4'-C1'-N19 113.644 5.444 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 O4'-C1'-N19 112.077 3.877 . 0.01 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 110.762 -0.088 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -133.91 145.98 50.1 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.887 -1.133 . . . . 0.0 112.79 -169.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.5 mtp -141.21 137.52 32.67 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.504 1.522 . . . . 0.0 112.362 -173.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -83.57 138.16 33.51 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.601 1.561 . . . . 0.0 107.924 167.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.9 mm -120.34 101.82 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.23 1.012 . . . . 0.0 108.774 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.44 168.89 25.69 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.202 0.906 . . . . 0.0 113.319 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.72 16.14 80.4 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.189 0.899 . . . . 0.0 115.153 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt -65.25 164.49 13.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.766 1.226 . . . . 0.0 112.679 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.8 t -84.38 153.09 23.65 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.991 0.916 . . . . 0.0 111.136 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -67.8 -2.86 7.92 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.985 -1.072 . . . . 0.0 112.889 168.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -101.97 -4.72 25.64 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.007 1.323 . . . . 0.0 113.028 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.4 m -71.96 141.4 49.42 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.56 1.073 . . . . 0.0 110.809 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.6 p -121.98 161.88 22.12 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.438 1.895 . . . . 0.0 110.084 174.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -70.0 -29.32 66.37 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.972 0.509 . . . . 0.0 112.358 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.44 -38.85 92.74 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.653 0.781 . . . . 0.0 110.254 168.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.91 -33.05 78.61 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.92 1.248 . . . . 0.0 112.717 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.33 -50.15 72.75 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.927 1.364 . . . . 0.0 110.96 169.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -56.78 -40.11 75.29 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.73 1.15 . . . . 0.0 111.972 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -60.46 -33.15 72.14 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.772 0.829 . . . . 0.0 112.857 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -88.58 -29.97 19.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.867 1.267 . . . . 0.0 114.355 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.18 -17.36 20.88 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.3 -11.13 58.66 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.573 1.083 . . . . 0.0 114.913 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.8 -15.88 57.85 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.874 1.27 . . . . 0.0 113.217 172.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -100.7 -33.62 10.19 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.55 1.14 . . . . 0.0 111.508 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.89 154.0 11.04 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.032 1.777 . . . . 0.0 111.267 173.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.29 145.0 54.92 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 117.68 0.74 . . . . 0.0 110.622 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.2 m -102.6 133.92 44.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 124.293 1.037 . . . . 0.0 110.897 -171.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -83.43 -22.94 32.5 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.861 2.064 . . . . 0.0 112.834 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -164.71 146.46 8.17 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.138 2.175 . . . . 0.0 108.19 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.3 p -145.59 140.84 27.68 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.777 1.231 . . . . 0.0 110.012 174.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.6 mt -145.22 143.73 30.43 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.334 1.454 . . . . 0.0 111.262 -169.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.5 t -134.34 127.6 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 167.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.9 mmt -85.82 53.19 2.69 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.394 1.078 . . . . 0.0 111.92 -169.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -84.34 151.13 24.93 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -173.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -85.05 129.14 57.26 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 123.847 0.859 . . . . 0.0 109.427 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.79 -15.44 19.06 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.044 2.496 . . . . 0.0 113.678 -174.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.11 -30.0 49.26 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.3 1.04 . . . . 0.0 113.18 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 73.8 p -128.18 -13.6 5.01 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.117 1.767 . . . . 0.0 113.798 -170.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 64.2 6.64 3.05 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.546 2.338 . . . . 0.0 113.919 -174.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.5 mtm105 -53.11 122.24 9.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.605 1.162 . . . . 0.0 109.766 169.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.1 p -88.27 -5.69 58.21 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 63.48 5.1 1.97 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.151 1.78 . . . . 0.0 112.63 -168.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.39 20.05 78.01 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 118.023 -1.432 . . . . 0.0 113.981 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -154.12 159.07 41.31 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.778 1.789 . . . . 0.0 115.437 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.26 -158.63 9.11 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.665 1.602 . . . . 0.0 113.036 173.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -146.17 149.42 33.93 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.593 1.557 . . . . 0.0 110.829 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.2 t -140.36 137.82 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.403 1.081 . . . . 0.0 109.781 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -116.33 136.79 52.69 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.095 1.758 . . . . 0.0 107.391 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -104.09 152.47 22.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.032 0.933 . . . . 0.0 111.77 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.15 -14.5 62.97 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.982 0.913 . . . . 0.0 113.461 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -156.63 153.7 28.99 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.021 1.728 . . . . 0.0 110.931 173.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -62.24 -24.51 67.29 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.213 1.005 . . . . 0.0 112.256 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.62 -19.87 52.08 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.41 -37.57 10.74 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.938 0.79 . . . . 0.0 112.439 170.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.6 t -60.81 -47.74 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.944 0.897 . . . . 0.0 109.518 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.44 -45.72 69.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.732 1.213 . . . . 0.0 112.499 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -68.14 -33.22 74.08 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.81 -39.09 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.171 0.441 . . . . 0.0 110.479 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -71.08 -36.55 72.29 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.195 -0.941 . . . . 0.0 112.216 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.81 -16.55 63.3 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -91.65 142.64 27.4 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.578 1.151 . . . . 0.0 111.507 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 p -79.24 -24.45 43.02 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -170.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -154.19 146.61 23.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.536 1.534 . . . . 0.0 111.581 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -133.66 153.38 51.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.292 1.437 . . . . 0.0 110.981 173.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -157.31 129.34 7.17 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.86 0.864 . . . . 0.0 111.01 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -149.11 127.3 12.08 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.546 1.538 . . . . 0.0 108.539 -175.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 59.06 33.0 22.69 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.503 1.521 . . . . 0.0 112.955 -170.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.7 m 65.07 20.92 12.16 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.666 1.587 . . . . 0.0 113.677 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -113.33 132.34 55.61 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.068 1.747 . . . . 0.0 109.232 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.4 m -66.42 117.99 9.43 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 173.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.0 pt -101.53 156.73 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.417 0.627 . . . . 0.0 110.732 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -129.65 81.44 69.56 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 125.046 1.338 . . . . 0.0 110.626 -173.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -86.45 140.09 6.17 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.901 3.067 . . . . 0.0 111.136 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.58 160.98 40.92 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.418 1.487 . . . . 0.0 111.831 -169.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.35 133.79 27.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 O-C-N 121.443 -0.786 . . . . 0.0 110.522 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.23 136.03 47.79 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.731 0.812 . . . . 0.0 111.174 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -52.48 130.91 44.61 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 123.985 0.914 . . . . 0.0 113.141 -171.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -81.04 178.79 6.52 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 124.426 3.418 . . . . 0.0 111.853 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 94.9 mtm-85 -137.73 140.86 40.94 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.509 1.523 . . . . 0.0 111.12 176.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -76.32 112.39 12.77 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 169.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 60.23 -167.94 0.17 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.609 1.564 . . . . 0.0 111.511 -168.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -140.76 149.08 55.35 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 124.785 1.234 . . . . 0.0 110.652 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -73.17 150.15 47.23 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.523 2.815 . . . . 0.0 111.722 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.781 1.632 . . . . 0.0 111.462 -178.209 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 C5'-C4'-C3' 111.146 -2.903 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.305 1 O4'-C1'-N19 112.626 4.426 . 0.475 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.706 0 O5'-C5'-C4' 113.413 2.295 . 0.165 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.146 1 O4'-C1'-N19 113.215 5.015 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 O4'-C1'-N19 112.186 3.986 . 0.103 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.4 m . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 119.84 -0.124 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -146.28 147.73 31.7 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.021 -1.049 . . . . 0.0 113.694 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mtp -137.94 137.0 37.54 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.811 1.644 . . . . 0.0 112.358 -173.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -83.21 135.7 34.68 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.891 1.676 . . . . 0.0 107.038 167.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.6 mm -116.04 100.79 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.151 0.98 . . . . 0.0 108.52 -173.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.41 164.44 22.19 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.242 0.925 . . . . 0.0 113.453 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.85 15.76 80.82 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.37 0.986 . . . . 0.0 115.105 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.71 166.98 7.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.896 1.278 . . . . 0.0 113.011 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 t -84.52 152.87 23.64 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.913 0.885 . . . . 0.0 110.652 169.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -68.26 -5.46 18.55 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.922 -1.111 . . . . 0.0 112.821 169.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -96.59 -7.57 34.02 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.75 1.22 . . . . 0.0 112.985 169.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -71.54 138.43 48.85 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.597 1.09 . . . . 0.0 110.527 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.8 p -119.83 163.72 17.07 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.978 1.711 . . . . 0.0 109.819 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.92 -24.19 65.17 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.73 -38.56 80.29 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 122.897 0.479 . . . . 0.0 110.247 168.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.6 -34.06 82.78 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.529 1.061 . . . . 0.0 112.5 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.94 -52.38 65.29 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.495 1.147 . . . . 0.0 110.489 169.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -55.8 -39.03 70.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.108 0.867 . . . . 0.0 112.286 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.94 -35.3 76.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.087 0.955 . . . . 0.0 112.944 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.17 -39.39 16.7 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.392 1.077 . . . . 0.0 113.237 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -84.16 -17.06 41.25 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -172.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.37 -10.49 48.6 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.608 1.099 . . . . 0.0 114.39 170.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.17 -25.84 61.84 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.669 1.188 . . . . 0.0 112.444 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -103.08 -38.2 7.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.936 1.294 . . . . 0.0 111.722 -174.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.78 159.79 29.58 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.212 1.387 . . . . 0.0 112.246 174.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.98 128.68 36.87 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.19 0.495 . . . . 0.0 109.973 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 m -85.79 136.91 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.512 0.672 . . . . 0.0 110.889 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -89.59 -22.61 22.26 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.37 1.868 . . . . 0.0 112.936 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -166.62 142.98 4.69 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.511 2.324 . . . . 0.0 107.793 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.1 p -141.12 144.54 34.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.691 1.196 . . . . 0.0 109.911 172.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.9 mt -149.21 144.06 26.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.49 1.116 . . . . 0.0 111.617 -169.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -129.47 126.53 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.133 1.373 . . . . 0.0 107.363 168.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.5 mmt -90.83 43.03 1.13 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.454 1.502 . . . . 0.0 113.011 -168.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -63.68 153.14 37.07 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.726 1.21 . . . . 0.0 113.986 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -78.43 129.63 74.07 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.512 1.125 . . . . 0.0 109.929 170.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.5 -11.25 14.39 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 122.446 2.098 . . . . 0.0 114.229 -173.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.08 -44.84 10.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.556 1.071 . . . . 0.0 111.187 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.9 p -109.76 -8.93 14.86 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.062 1.345 . . . . 0.0 113.579 -171.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 68.12 2.98 3.42 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.568 2.347 . . . . 0.0 113.896 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -58.15 135.04 56.98 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.256 0.935 . . . . 0.0 110.761 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.7 p -76.97 -10.27 59.25 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 60.01 14.03 4.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.917 1.687 . . . . 0.0 112.172 -168.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.45 23.31 78.14 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-O 117.881 -1.51 . . . . 0.0 113.891 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -154.43 159.2 40.94 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.858 1.829 . . . . 0.0 115.842 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.04 -157.57 8.44 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.992 1.758 . . . . 0.0 112.738 173.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -147.35 147.92 30.82 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.691 1.596 . . . . 0.0 110.849 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.9 t -142.25 129.43 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.581 1.153 . . . . 0.0 110.507 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.5 m -104.66 143.75 32.65 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.667 1.987 . . . . 0.0 108.116 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -112.85 151.03 30.91 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.555 1.142 . . . . 0.0 111.491 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -67.17 -15.17 63.55 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.237 1.015 . . . . 0.0 113.463 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -156.26 156.07 33.44 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.163 1.785 . . . . 0.0 110.922 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -62.69 -24.42 67.64 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.556 1.142 . . . . 0.0 112.98 177.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.74 -25.06 62.61 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.19 -37.37 18.48 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.175 0.898 . . . . 0.0 112.636 172.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.7 -48.49 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 123.827 0.851 . . . . 0.0 109.342 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.66 -45.9 66.95 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.888 1.275 . . . . 0.0 112.624 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -66.18 -37.75 86.37 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.5 t -69.85 -29.21 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 122.954 0.502 . . . . 0.0 111.075 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.75 -39.07 37.13 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.318 -0.864 . . . . 0.0 111.973 173.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.39 -26.36 63.66 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -176.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -85.28 135.35 33.95 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.519 1.128 . . . . 0.0 110.744 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -81.14 -11.15 59.52 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -169.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -162.83 147.15 11.53 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.018 1.327 . . . . 0.0 111.729 -173.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -142.73 156.43 45.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.86 1.664 . . . . 0.0 110.641 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -153.81 132.53 12.27 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.964 0.906 . . . . 0.0 111.066 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.1 tp -149.8 129.57 13.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.732 1.613 . . . . 0.0 108.966 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t70 58.11 34.29 24.03 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.682 1.593 . . . . 0.0 112.668 -170.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.6 m 65.65 17.86 11.03 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.87 1.668 . . . . 0.0 113.643 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -114.47 131.7 56.53 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.094 1.757 . . . . 0.0 109.135 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 m -72.62 119.07 16.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.283 1.033 . . . . 0.0 108.701 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.3 pt -103.13 150.28 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.717 0.807 . . . . 0.0 111.038 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -127.86 68.97 76.1 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 125.52 1.528 . . . . 0.0 111.149 -172.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -74.37 148.2 38.0 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.93 3.087 . . . . 0.0 111.918 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -158.43 165.06 35.57 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.045 1.738 . . . . 0.0 111.661 -170.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.92 133.8 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 121.209 -0.932 . . . . 0.0 110.782 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.0 139.25 34.65 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.179 0.992 . . . . 0.0 113.133 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -63.76 146.07 97.15 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 123.936 0.894 . . . . 0.0 109.878 168.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.07 164.94 25.69 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.528 2.818 . . . . 0.0 112.623 -174.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -68.0 138.85 56.2 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.685 0.794 . . . . 0.0 111.585 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -83.12 104.21 13.14 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.47 1.108 . . . . 0.0 108.642 173.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 60.71 -166.94 0.19 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.128 1.771 . . . . 0.0 112.212 -171.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -76.88 136.71 66.44 Favored Pre-proline 0 CA--C 1.547 0.86 0 O-C-N 121.362 -0.836 . . . . 0.0 110.456 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -76.85 166.2 27.31 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.608 2.872 . . . . 0.0 112.652 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.241 1.817 . . . . 0.0 111.626 -178.805 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C5'-C4'-C3' 111.175 -2.884 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.275 1 O4'-C1'-N19 112.378 4.178 . 0.424 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 0 O5'-C5'-C4' 113.739 2.528 . 0.222 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 1 O4'-C1'-N19 113.402 5.202 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 O4'-C4'-C3' 108.168 1.905 . 0.027 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 119.744 -0.17 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -141.25 147.36 38.14 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 120.751 -1.218 . . . . 0.0 113.737 -170.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.6 mtp -140.68 137.73 33.75 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.924 1.69 . . . . 0.0 112.063 -171.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -82.4 138.1 34.54 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.087 1.755 . . . . 0.0 107.741 167.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.3 mm -120.23 99.45 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 124.179 0.992 . . . . 0.0 108.838 -176.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.8 172.0 36.64 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.041 0.829 . . . . 0.0 112.732 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.48 16.51 77.5 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.971 0.796 . . . . 0.0 114.992 171.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.5 163.09 19.29 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.581 1.152 . . . . 0.0 112.156 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.9 t -79.38 152.33 30.44 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.251 0.62 . . . . 0.0 110.906 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -62.52 -12.05 20.08 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.012 -1.055 . . . . 0.0 113.031 168.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.71 -6.71 35.77 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.805 1.242 . . . . 0.0 113.222 174.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 79.9 m -69.77 138.53 52.83 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.616 1.098 . . . . 0.0 110.588 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.6 p -119.59 163.39 17.41 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.056 1.742 . . . . 0.0 109.941 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -68.87 -23.24 64.19 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.21 -36.56 71.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.747 0.419 . . . . 0.0 110.349 168.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.39 -34.29 84.53 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.443 1.02 . . . . 0.0 112.298 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.12 -50.76 71.91 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 118.544 1.172 . . . . 0.0 110.775 169.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -56.88 -39.06 73.65 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.32 0.964 . . . . 0.0 112.228 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.33 -34.62 74.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.132 0.973 . . . . 0.0 112.961 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -87.62 -37.94 16.35 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.482 1.113 . . . . 0.0 113.437 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -86.24 -15.48 40.68 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -173.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.27 -9.74 44.11 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.502 1.049 . . . . 0.0 114.427 170.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -72.89 -25.71 61.17 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.768 1.227 . . . . 0.0 112.555 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -103.51 -32.64 9.37 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.916 1.286 . . . . 0.0 112.224 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.15 166.39 35.87 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.992 1.282 . . . . 0.0 112.496 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.63 127.1 31.51 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.344 -0.504 . . . . 0.0 109.776 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.4 m -86.15 137.63 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.646 0.736 . . . . 0.0 110.939 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -85.92 -26.1 25.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.2 1.8 . . . . 0.0 112.503 175.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -167.44 135.9 2.55 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.47 1.908 . . . . 0.0 108.935 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.1 m -125.76 142.29 51.58 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.975 1.31 . . . . 0.0 109.246 169.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.7 mt -143.9 143.41 31.26 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.796 1.239 . . . . 0.0 111.754 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -132.23 128.89 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.278 1.431 . . . . 0.0 107.753 168.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.8 mmt -89.54 44.6 1.22 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.06 1.344 . . . . 0.0 112.333 -169.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -66.47 150.36 49.06 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.54 128.96 84.81 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 124.868 1.267 . . . . 0.0 109.582 169.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.72 -11.73 12.58 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.594 2.196 . . . . 0.0 114.153 -174.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -91.88 -44.34 8.98 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.367 0.985 . . . . 0.0 110.816 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.8 p -104.37 -9.83 18.21 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.115 0.966 . . . . 0.0 113.157 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 67.66 1.6 2.67 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.377 2.671 . . . . 0.0 114.004 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -61.38 130.64 47.06 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.074 1.349 . . . . 0.0 110.108 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.4 p -71.02 -7.2 44.7 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.29 1.436 . . . . 0.0 114.222 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 64.06 6.19 2.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.442 1.897 . . . . 0.0 112.294 -168.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.64 14.94 81.9 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.235 1.398 . . . . 0.0 114.482 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -156.2 162.47 40.18 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.646 1.723 . . . . 0.0 115.023 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.26 -156.07 7.75 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 125.791 1.663 . . . . 0.0 112.941 172.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -146.27 149.89 34.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.684 1.594 . . . . 0.0 111.031 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.5 t -141.33 135.36 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.5 1.12 . . . . 0.0 110.182 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 m -116.21 141.38 48.22 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.927 2.091 . . . . 0.0 108.099 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -109.99 154.56 22.99 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.529 1.132 . . . . 0.0 112.119 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.7 mmt -68.31 -19.42 64.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.049 0.94 . . . . 0.0 113.125 171.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -148.72 146.25 28.01 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.542 1.937 . . . . 0.0 110.793 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -64.09 -21.68 66.63 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.702 0.801 . . . . 0.0 112.369 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.95 -24.67 62.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.525 1.13 . . . . 0.0 113.873 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.14 -38.01 16.62 Favored Glycine 0 N--CA 1.47 0.952 0 CA-C-N 119.224 0.92 . . . . 0.0 112.426 171.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.63 -47.93 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.748 0.819 . . . . 0.0 109.497 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -52.3 -46.61 66.0 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.825 1.25 . . . . 0.0 112.737 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -64.88 -38.37 90.75 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.1 -29.28 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 122.931 0.492 . . . . 0.0 111.118 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.93 -38.59 36.87 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.321 -0.862 . . . . 0.0 111.967 173.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.38 -24.6 62.98 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -176.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -85.93 135.67 33.58 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.528 1.131 . . . . 0.0 110.685 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -82.25 -9.85 59.34 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -169.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -162.48 145.59 11.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.014 1.326 . . . . 0.0 111.692 -173.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -143.54 153.84 43.0 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.708 1.603 . . . . 0.0 110.691 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -153.51 132.85 12.77 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.015 0.926 . . . . 0.0 110.919 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.3 tp -149.53 130.2 14.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.684 1.594 . . . . 0.0 109.067 -177.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 57.26 35.4 26.08 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.682 1.593 . . . . 0.0 112.596 -170.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.4 m 65.49 19.25 11.51 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.683 1.593 . . . . 0.0 113.558 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -117.77 132.98 56.39 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.818 1.647 . . . . 0.0 109.552 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.5 m -74.6 116.83 15.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.475 1.11 . . . . 0.0 108.714 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.1 pt -98.94 158.83 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.655 0.782 . . . . 0.0 111.485 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -128.21 79.18 74.39 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.706 1.602 . . . . 0.0 110.564 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -87.97 134.88 3.22 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.908 3.072 . . . . 0.0 110.61 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -159.33 162.71 35.98 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.088 1.355 . . . . 0.0 112.279 -168.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.26 132.43 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.923 0.889 . . . . 0.0 111.228 -171.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.01 136.85 39.97 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.867 0.867 . . . . 0.0 111.678 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -56.26 139.73 72.67 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.0 0.92 . . . . 0.0 112.002 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -72.16 164.14 36.56 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.855 3.037 . . . . 0.0 112.612 -174.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -151.14 -176.43 5.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.124 1.77 . . . . 0.0 111.831 -175.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -140.36 149.88 43.25 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.571 1.548 . . . . 0.0 111.5 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -163.58 163.95 24.35 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.588 1.955 . . . . 0.0 111.174 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -83.2 158.63 63.78 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 123.872 0.869 . . . . 0.0 112.13 175.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.94 155.21 57.86 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.811 2.34 . . . . 0.0 110.336 168.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.613 1.565 . . . . 0.0 111.577 -177.538 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.392 0 O4'-C4'-C3' 108.701 2.287 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.108 0 O4'-C1'-N19 111.906 3.706 . 0.087 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 O5'-C5'-C4' 113.39 2.279 . 0.206 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 1 O4'-C1'-N19 112.723 4.523 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.381 0 O4'-C1'-N19 110.899 2.699 . 0.231 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.8 tttt 143.32 139.02 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.485 1 C-N-CA 131.918 4.087 . . . . 0.0 111.211 169.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.3 mtp -140.75 137.51 33.47 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.878 1.671 . . . . 0.0 112.246 -170.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -82.29 138.09 34.66 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.068 1.747 . . . . 0.0 107.973 168.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.6 mm -119.87 98.65 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.304 1.041 . . . . 0.0 108.788 -175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.45 168.87 31.12 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 124.006 0.812 . . . . 0.0 113.333 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.85 16.41 80.43 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.138 0.875 . . . . 0.0 115.063 172.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.38 159.78 26.15 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.505 1.122 . . . . 0.0 112.71 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.4 t -76.97 149.21 35.97 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.152 0.981 . . . . 0.0 110.61 168.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -64.03 -7.88 9.99 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.886 -1.134 . . . . 0.0 114.005 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -95.35 -2.37 49.3 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.558 1.143 . . . . 0.0 112.752 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.3 m -72.2 142.74 49.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.205 1.002 . . . . 0.0 111.107 -173.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -121.22 159.1 26.64 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.71 1.604 . . . . 0.0 109.774 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.97 -26.4 65.02 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.59 -34.95 76.67 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 122.025 -0.422 . . . . 0.0 110.611 168.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.86 -34.44 82.51 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.644 1.116 . . . . 0.0 112.443 172.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.8 -49.75 75.09 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.651 1.225 . . . . 0.0 110.723 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -57.73 -37.9 74.38 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.114 0.87 . . . . 0.0 112.286 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.58 -36.09 77.66 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.655 0.782 . . . . 0.0 112.8 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -84.31 -42.26 15.99 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.48 1.112 . . . . 0.0 113.324 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -82.33 -22.47 35.57 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.47 -12.85 57.31 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.139 1.352 . . . . 0.0 114.002 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -75.13 -20.21 59.52 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.525 1.13 . . . . 0.0 112.361 173.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -97.93 -42.08 7.7 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.414 1.486 . . . . 0.0 110.927 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.03 155.14 15.33 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.37 1.462 . . . . 0.0 112.326 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.48 146.08 52.54 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 117.491 0.646 . . . . 0.0 111.516 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 m -103.22 133.15 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.655 1.182 . . . . 0.0 111.413 -172.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -80.11 -25.82 39.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.848 2.459 . . . . 0.0 112.517 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -161.33 146.43 13.74 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.539 1.936 . . . . 0.0 108.717 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.5 p -149.15 142.52 25.21 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.775 1.23 . . . . 0.0 110.382 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -147.74 144.27 28.15 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.66 1.584 . . . . 0.0 111.094 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.3 t -125.87 121.69 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 166.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.7 mmm -87.82 52.67 2.54 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.195 0.998 . . . . 0.0 112.251 -168.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -73.62 153.72 40.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.663 1.185 . . . . 0.0 113.939 -170.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.77 129.67 88.0 Favored Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 124.91 1.284 . . . . 0.0 109.788 169.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -80.11 -10.53 13.8 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 122.12 1.88 . . . . 0.0 114.15 -172.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -89.17 -41.66 12.12 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.869 1.213 . . . . 0.0 111.348 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.2 p -108.12 -13.08 15.0 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.246 1.418 . . . . 0.0 113.5 -172.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 65.92 4.22 2.9 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.725 2.41 . . . . 0.0 113.634 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.87 126.53 27.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.294 1.838 . . . . 0.0 110.135 171.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.5 p -67.68 -7.28 25.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.974 1.31 . . . . 0.0 114.37 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 61.46 8.29 2.14 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.78 1.632 . . . . 0.0 112.13 -168.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.49 18.23 79.91 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-O 117.799 -1.556 . . . . 0.0 114.475 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -155.25 159.37 40.0 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 120.021 1.91 . . . . 0.0 115.476 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -150.07 -162.18 10.34 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 126.027 1.775 . . . . 0.0 112.984 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -144.96 147.95 33.27 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.658 1.583 . . . . 0.0 110.804 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.4 t -143.31 139.78 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.76 1.224 . . . . 0.0 110.205 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.1 m -122.18 138.16 54.57 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.734 1.614 . . . . 0.0 108.14 172.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -96.6 155.23 16.86 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.203 1.001 . . . . 0.0 112.279 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.29 -15.65 60.59 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 173.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -153.39 156.21 37.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.348 1.859 . . . . 0.0 110.443 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -57.83 -27.86 63.55 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.42 1.088 . . . . 0.0 112.703 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.75 -28.48 56.12 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.66 -31.54 60.42 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-N 119.134 0.879 . . . . 0.0 112.942 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.24 -46.52 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-N 117.852 0.826 . . . . 0.0 109.218 171.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.49 -44.24 76.36 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.959 0.904 . . . . 0.0 112.153 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -64.33 -34.68 78.71 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.843 0.857 . . . . 0.0 113.161 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.78 -42.96 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 122.865 0.466 . . . . 0.0 110.953 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.34 -35.06 78.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.221 0.608 . . . . 0.0 112.326 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.34 -9.09 45.55 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -108.52 136.49 48.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.93 1.292 . . . . 0.0 110.588 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.1 m -84.4 -8.67 58.9 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -168.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -162.44 146.52 11.87 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.155 1.382 . . . . 0.0 111.463 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -143.71 156.06 44.41 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.615 1.566 . . . . 0.0 110.809 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.34 133.26 12.33 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.073 0.949 . . . . 0.0 110.827 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.1 tp -149.53 129.47 13.43 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.587 1.555 . . . . 0.0 109.129 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.2 t70 58.07 36.88 26.35 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.709 1.604 . . . . 0.0 112.621 -172.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.5 m 66.23 18.88 11.03 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.872 1.669 . . . . 0.0 113.67 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -119.0 130.49 55.71 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.047 1.739 . . . . 0.0 109.376 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.9 m -71.86 118.64 14.96 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.399 1.08 . . . . 0.0 108.69 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.1 pt -101.78 158.46 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.832 0.853 . . . . 0.0 111.123 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -131.82 82.08 61.24 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 125.291 1.436 . . . . 0.0 110.39 -173.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -87.0 140.85 5.91 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.765 2.977 . . . . 0.0 111.266 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -156.56 162.43 39.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.512 1.525 . . . . 0.0 112.172 -169.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.37 133.76 26.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.355 -0.84 . . . . 0.0 110.542 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.71 139.26 37.4 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.983 0.913 . . . . 0.0 113.268 -175.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -62.43 146.57 93.23 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 124.349 1.06 . . . . 0.0 110.277 168.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -61.89 165.28 14.47 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.16 3.24 . . . . 0.0 113.095 -174.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.72 146.62 50.97 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.886 1.274 . . . . 0.0 113.29 -168.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -144.69 100.11 3.46 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.554 1.942 . . . . 0.0 110.142 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -171.06 165.12 7.5 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.136 2.174 . . . . 0.0 110.742 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -127.31 145.15 53.29 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.942 1.297 . . . . 0.0 110.312 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.52 114.68 4.1 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 123.289 2.659 . . . . 0.0 109.83 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.815 1.646 . . . . 0.0 111.63 -172.818 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C5'-C4'-C3' 111.094 -2.937 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 1 O4'-C1'-N19 112.412 4.212 . 0.483 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 O5'-C5'-C4' 113.032 2.023 . 0.211 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 1 O4'-C1'-N19 114.832 6.632 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.308 0 O4'-C1'-N19 111.162 2.962 . 0.058 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -109.95 144.73 38.06 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.984 1.72 . . . . 0.0 113.105 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.9 mtp -140.1 137.64 34.66 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.176 1.79 . . . . 0.0 112.203 -173.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -81.72 138.32 35.24 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.894 1.677 . . . . 0.0 107.702 167.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mm -120.57 99.93 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.185 0.994 . . . . 0.0 108.941 -176.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.06 169.89 32.6 Favored Glycine 0 N--CA 1.471 0.972 0 C-N-CA 123.953 0.787 . . . . 0.0 113.106 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.45 15.48 81.19 Favored Glycine 0 CA--C 1.535 1.327 0 N-CA-C 115.303 0.881 . . . . 0.0 115.303 170.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.63 166.75 12.27 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.92 1.288 . . . . 0.0 112.411 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.2 t -79.48 151.23 30.92 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.302 0.641 . . . . 0.0 110.784 169.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -59.67 -7.38 1.51 Allowed 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 170.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -120.96 10.37 10.81 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.605 1.562 . . . . 0.0 113.127 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.1 m -67.27 142.08 57.01 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.232 0.924 . . . . 0.0 109.912 169.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.9 p -118.86 160.04 22.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.561 1.545 . . . . 0.0 110.331 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.95 -25.04 64.35 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.87 -36.57 75.59 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.981 -0.449 . . . . 0.0 110.392 168.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.92 -33.84 85.23 Favored Glycine 0 C--N 1.343 0.941 0 C-N-CA 124.468 1.032 . . . . 0.0 112.432 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.45 -50.82 71.24 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.589 1.194 . . . . 0.0 110.935 169.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.94 -39.58 74.81 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.323 0.965 . . . . 0.0 112.14 175.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.06 -34.89 74.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.966 0.906 . . . . 0.0 112.872 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -85.38 -41.46 15.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.344 1.058 . . . . 0.0 113.351 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -82.4 -19.04 39.88 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.61 -9.97 47.19 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.634 1.111 . . . . 0.0 114.317 171.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.34 -27.04 64.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.648 1.179 . . . . 0.0 112.29 170.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -101.04 -35.22 9.43 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.478 1.511 . . . . 0.0 111.382 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.51 153.0 10.5 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 125.95 1.738 . . . . 0.0 111.544 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.09 148.67 35.0 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.603 0.701 . . . . 0.0 110.7 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 m -107.04 133.53 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.52 1.128 . . . . 0.0 111.538 -170.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -78.26 -27.26 47.49 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.451 2.301 . . . . 0.0 112.364 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -163.25 145.62 10.08 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.867 2.067 . . . . 0.0 108.656 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.13 144.29 29.88 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.75 1.22 . . . . 0.0 110.324 171.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -147.37 147.3 30.15 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.401 1.48 . . . . 0.0 111.177 -172.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -133.75 125.76 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 167.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.5 mmt -85.1 51.57 2.21 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.275 1.43 . . . . 0.0 112.382 -169.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -74.18 147.18 42.82 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.302 1.441 . . . . 0.0 113.977 -173.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.74 130.86 80.53 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.268 1.427 . . . . 0.0 110.353 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.77 -10.6 11.72 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.484 2.123 . . . . 0.0 114.493 -173.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.78 -35.18 15.0 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.61 1.096 . . . . 0.0 111.779 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.8 p -115.78 -12.01 11.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.111 1.365 . . . . 0.0 113.425 -172.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.04 6.14 3.32 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.586 2.355 . . . . 0.0 113.441 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -58.88 123.48 16.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.09 1.756 . . . . 0.0 110.083 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.6 p -71.39 -8.62 54.99 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 64.35 5.93 2.81 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.364 1.866 . . . . 0.0 112.703 -168.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.83 15.17 79.8 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-O 118.07 -1.406 . . . . 0.0 114.51 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -156.93 162.51 39.63 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.819 1.81 . . . . 0.0 114.959 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.01 -156.54 7.94 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.721 1.629 . . . . 0.0 113.177 173.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -145.75 150.76 36.83 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.621 1.568 . . . . 0.0 110.953 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.8 t -142.53 137.97 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.844 1.258 . . . . 0.0 109.937 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.5 m -116.97 136.15 53.16 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.558 1.543 . . . . 0.0 108.156 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -96.59 153.65 17.73 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.053 0.941 . . . . 0.0 112.179 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 99.3 mmm -67.5 -14.9 63.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.841 0.856 . . . . 0.0 113.23 173.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -154.73 154.01 32.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.299 1.839 . . . . 0.0 110.665 171.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -60.58 -25.25 66.07 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.589 1.156 . . . . 0.0 112.999 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.25 -23.56 56.41 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.22 -34.71 28.84 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 118.961 0.8 . . . . 0.0 112.731 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.29 -47.49 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 117.89 0.845 . . . . 0.0 109.303 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.14 -45.29 61.6 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.203 1.001 . . . . 0.0 112.65 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -66.77 -37.7 85.12 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.13 -31.66 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.34 0.656 . . . . 0.0 111.209 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.49 -38.25 55.57 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.274 -0.891 . . . . 0.0 111.978 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.37 -16.07 62.4 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -95.01 137.65 33.78 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.76 1.224 . . . . 0.0 111.147 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.2 m -80.63 -10.49 59.73 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -169.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -162.57 147.96 12.36 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.4 1.48 . . . . 0.0 111.551 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.01 155.0 49.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.746 1.618 . . . . 0.0 110.551 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -152.82 131.86 12.61 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.198 0.999 . . . . 0.0 110.372 -173.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.3 tp -153.71 131.87 11.87 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.366 1.466 . . . . 0.0 109.118 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 58.5 38.73 25.47 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.476 1.51 . . . . 0.0 112.58 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.1 m 66.88 23.13 10.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.079 1.752 . . . . 0.0 113.675 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -130.81 134.68 47.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.2 1.8 . . . . 0.0 109.846 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.0 m -67.26 118.09 10.17 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.562 1.145 . . . . 0.0 108.343 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.5 pt -100.07 156.32 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.398 0.618 . . . . 0.0 110.995 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -130.09 80.39 71.02 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 125.403 1.481 . . . . 0.0 110.48 -173.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -86.4 139.83 6.11 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 123.779 2.986 . . . . 0.0 111.186 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -155.45 162.2 40.8 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.542 1.537 . . . . 0.0 111.87 -170.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.0 t -61.03 132.37 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 121.287 -0.883 . . . . 0.0 110.503 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.01 140.3 40.33 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.815 0.846 . . . . 0.0 112.054 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -57.84 126.38 76.33 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-O 118.608 -0.711 . . . . 0.0 109.76 170.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.69 140.53 29.53 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.514 2.809 . . . . 0.0 112.043 -169.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -139.73 17.71 2.51 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.805 1.642 . . . . 0.0 112.559 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -68.48 134.88 50.78 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.341 1.456 . . . . 0.0 111.481 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.56 161.97 40.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.438 1.895 . . . . 0.0 110.697 173.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -161.66 151.57 14.07 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.931 1.692 . . . . 0.0 110.676 -173.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.87 139.2 39.29 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.02 2.48 . . . . 0.0 110.67 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.576 1.55 . . . . 0.0 111.551 -175.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C5'-C4'-C3' 111.266 -2.822 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.466 1 O4'-C1'-N19 112.548 4.348 . 0.525 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 O5'-C5'-C4' 113.353 2.252 . 0.213 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 1 O4'-C1'-N19 114.119 5.919 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 O4'-C1'-N19 111.268 3.068 . 0.156 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.3 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 119.771 -0.157 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -145.48 147.33 32.05 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.688 -1.257 . . . . 0.0 113.109 -172.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.5 mtp -137.88 136.81 37.45 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.598 1.559 . . . . 0.0 111.946 -175.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -84.5 131.76 34.61 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 125.85 1.66 . . . . 0.0 107.505 168.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.0 mm -113.36 95.13 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 123.987 0.915 . . . . 0.0 108.583 -172.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.39 165.33 27.47 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 123.959 0.79 . . . . 0.0 112.979 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.15 18.27 79.46 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.185 0.897 . . . . 0.0 114.962 172.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.13 164.59 15.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.601 1.161 . . . . 0.0 112.641 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.4 t -79.32 150.97 31.31 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.179 0.592 . . . . 0.0 110.3 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -59.04 -17.49 26.02 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.924 -1.11 . . . . 0.0 113.302 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -94.81 -7.56 39.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.831 1.652 . . . . 0.0 113.138 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.3 m -67.67 139.57 56.78 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.684 1.129 . . . . 0.0 110.821 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.0 p -121.72 163.31 19.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.203 1.801 . . . . 0.0 110.172 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.53 -25.32 64.87 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.29 -37.26 77.74 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.986 -0.446 . . . . 0.0 110.339 168.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.25 -34.1 84.64 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.395 0.998 . . . . 0.0 112.456 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.93 -52.99 62.69 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 118.673 1.237 . . . . 0.0 110.809 169.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -54.88 -40.09 69.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.405 1.002 . . . . 0.0 112.365 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -59.28 -35.42 73.72 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.033 0.933 . . . . 0.0 112.934 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -88.23 -41.68 12.78 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.387 1.075 . . . . 0.0 113.243 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -83.05 -23.92 32.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.559 1.144 . . . . 0.0 113.923 -172.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 -12.66 56.59 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.586 1.088 . . . . 0.0 113.971 172.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -77.26 -20.43 55.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.759 1.223 . . . . 0.0 112.696 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -98.23 -34.17 10.82 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.94 1.296 . . . . 0.0 111.975 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.74 154.72 13.19 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 127.192 2.329 . . . . 0.0 110.544 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -64.27 138.5 58.47 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.378 1.089 . . . . 0.0 111.143 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -91.76 129.63 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.943 1.297 . . . . 0.0 110.184 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -80.01 -25.9 40.08 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.268 1.827 . . . . 0.0 112.291 173.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -162.13 147.18 12.76 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.002 1.721 . . . . 0.0 109.118 -177.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.3 p -142.92 143.51 32.04 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.585 1.154 . . . . 0.0 110.386 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.7 mt -145.95 143.75 29.71 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.074 1.35 . . . . 0.0 111.322 -174.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.1 t -134.13 129.72 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.464 1.506 . . . . 0.0 107.646 168.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.3 mmt -91.83 42.49 1.1 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.17 1.388 . . . . 0.0 112.577 -169.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -63.24 145.89 54.58 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -173.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -79.87 128.57 73.67 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 124.156 0.982 . . . . 0.0 110.561 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.0 -14.06 21.23 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 122.707 2.271 . . . . 0.0 113.523 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.98 -26.48 48.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.238 1.015 . . . . 0.0 113.022 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 p -135.35 -11.21 2.17 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.252 1.421 . . . . 0.0 113.764 -170.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 64.29 4.44 2.15 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.943 2.497 . . . . 0.0 113.997 -176.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -61.34 131.19 49.5 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.242 1.017 . . . . 0.0 110.577 171.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.2 p -67.19 -9.22 37.99 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.961 1.704 . . . . 0.0 114.717 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 67.4 6.4 4.87 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.816 2.046 . . . . 0.0 112.567 -168.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.86 16.09 81.06 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-O 118.144 -1.365 . . . . 0.0 113.955 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -155.31 161.14 41.17 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.601 1.701 . . . . 0.0 115.404 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.23 -157.03 8.32 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 125.39 1.471 . . . . 0.0 112.894 169.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -144.69 148.94 34.82 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.346 1.458 . . . . 0.0 111.119 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.44 129.66 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.926 0.89 . . . . 0.0 109.968 172.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.4 m -105.46 139.9 39.39 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.7 1.6 . . . . 0.0 107.635 170.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -107.5 151.81 25.07 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.973 1.309 . . . . 0.0 111.367 -178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.6 mtp -73.98 -6.98 50.66 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.168 0.987 . . . . 0.0 113.414 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -156.74 154.42 29.97 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.111 2.165 . . . . 0.0 111.388 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -76.67 -22.57 53.84 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.795 -0.566 . . . . 0.0 112.105 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.17 -25.16 68.22 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.32 -35.82 22.37 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-N 119.823 1.192 . . . . 0.0 112.644 170.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.0 t -59.41 -46.72 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 117.96 0.88 . . . . 0.0 109.452 172.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -51.99 -47.76 64.74 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.078 1.351 . . . . 0.0 112.793 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -65.55 -35.87 82.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.84 -27.37 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.059 0.544 . . . . 0.0 111.276 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.0 mt -80.23 -38.7 30.52 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.063 -1.023 . . . . 0.0 111.733 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.4 -25.97 61.69 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -175.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -84.92 138.27 32.61 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.394 1.078 . . . . 0.0 111.435 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -82.79 -4.14 57.58 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -169.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -161.96 144.99 11.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.586 1.554 . . . . 0.0 111.157 -175.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -139.29 149.37 44.19 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.1 1.36 . . . . 0.0 110.937 173.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -153.31 130.73 11.35 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.964 0.906 . . . . 0.0 110.834 -171.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.6 tp -151.82 133.55 14.82 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.795 1.638 . . . . 0.0 108.855 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.8 t70 59.45 29.45 19.01 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.381 1.473 . . . . 0.0 112.46 -171.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 m 65.42 19.44 11.59 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.283 1.833 . . . . 0.0 113.827 -175.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -114.28 139.25 49.57 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.626 1.57 . . . . 0.0 109.806 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.2 m -72.83 117.94 15.16 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.5 pt -103.22 154.27 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.392 0.677 . . . . 0.0 111.18 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -128.79 67.4 77.34 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 125.171 1.388 . . . . 0.0 111.786 -171.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.2 146.24 28.3 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 124.096 3.197 . . . . 0.0 111.786 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -157.35 163.66 38.4 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.277 1.431 . . . . 0.0 112.428 -171.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.0 t -59.63 133.05 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 124.222 1.009 . . . . 0.0 110.717 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.06 144.2 27.68 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -176.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -60.54 145.84 86.43 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.208 1.003 . . . . 0.0 109.992 167.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.13 141.65 44.26 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.005 2.47 . . . . 0.0 111.488 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.57 141.69 46.64 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.262 1.025 . . . . 0.0 111.346 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -62.55 143.1 57.61 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.406 1.082 . . . . 0.0 111.542 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.95 140.41 57.77 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.617 0.767 . . . . 0.0 110.188 168.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -144.91 149.52 42.89 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.363 1.465 . . . . 0.0 110.218 -169.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -77.9 147.63 24.38 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.626 2.884 . . . . 0.0 111.731 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.273 2.229 . . . . 0.0 112.433 175.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C4'-C3' 108.914 2.439 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.201 0 O4'-C1'-N19 111.651 3.451 . 0.029 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.516 0 O5'-C5'-C4' 114.033 2.738 . 0.239 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.386 1 O4'-C1'-N19 113.45 5.25 . 0.579 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 O4'-C1'-N19 111.591 3.391 . 0.135 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 119.846 -0.121 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -147.01 148.88 32.14 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.849 -1.157 . . . . 0.0 114.098 -171.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 71.1 mtp -139.2 137.77 36.3 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.864 1.665 . . . . 0.0 112.494 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -81.68 140.03 34.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.818 1.647 . . . . 0.0 107.399 167.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.1 mm -122.68 99.1 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.96 0.904 . . . . 0.0 109.103 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.54 168.92 32.34 Favored Glycine 0 N--CA 1.47 0.954 0 C-N-CA 124.055 0.836 . . . . 0.0 112.883 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.01 16.21 80.84 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 171.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.19 162.25 20.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.785 1.234 . . . . 0.0 112.558 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.9 t -76.91 147.96 36.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.094 0.958 . . . . 0.0 110.954 169.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -59.23 -16.18 19.56 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -109.64 9.93 24.99 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.561 1.544 . . . . 0.0 113.048 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.5 m -65.82 141.94 58.11 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.124 0.969 . . . . 0.0 110.09 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.5 p -118.57 160.21 22.19 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.257 1.423 . . . . 0.0 109.968 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -69.38 -22.95 63.68 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.0 -35.94 72.27 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.849 0.459 . . . . 0.0 110.351 167.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.44 -34.11 78.75 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.532 1.063 . . . . 0.0 112.453 172.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.91 -50.62 71.42 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 118.701 1.251 . . . . 0.0 110.49 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -55.23 -39.84 70.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.315 0.961 . . . . 0.0 112.27 175.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -61.02 -35.68 77.51 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.169 0.987 . . . . 0.0 112.909 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -86.5 -35.97 19.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.701 1.2 . . . . 0.0 113.527 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -88.89 -14.14 37.51 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -173.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.34 -10.12 46.51 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.469 1.033 . . . . 0.0 114.045 169.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -71.02 -25.62 62.75 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.826 1.251 . . . . 0.0 112.49 172.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -105.83 -28.98 10.31 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.678 1.191 . . . . 0.0 112.877 -172.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.83 165.78 32.83 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 125.282 1.42 . . . . 0.0 112.435 176.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.54 124.81 24.61 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 122.274 -0.545 . . . . 0.0 109.909 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -85.74 147.35 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.499 0.72 . . . . 0.0 111.292 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -103.27 -16.28 15.72 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.672 1.989 . . . . 0.0 113.775 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -147.37 -85.02 0.1 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.947 0.899 . . . . 0.0 112.407 -170.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.3 m 70.22 130.37 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 128.385 2.674 . . . . 0.0 112.577 -169.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.7 mt -147.94 145.47 28.6 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.531 1.532 . . . . 0.0 111.108 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.93 126.74 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 168.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.5 mmt -86.06 49.11 1.72 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.271 1.428 . . . . 0.0 112.299 -170.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -71.57 148.47 46.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.274 1.43 . . . . 0.0 113.516 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -84.14 126.64 69.39 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.527 1.131 . . . . 0.0 110.163 172.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.97 -13.96 21.33 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.596 2.197 . . . . 0.0 113.757 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.33 -25.65 51.33 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.98 . . . . 0.0 113.037 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -135.97 -10.99 2.01 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.413 1.485 . . . . 0.0 113.716 -170.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.51 6.53 2.58 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.822 2.449 . . . . 0.0 113.677 -175.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -58.97 128.99 40.0 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.985 1.314 . . . . 0.0 110.562 171.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -74.31 -7.36 52.53 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.95 1.3 . . . . 0.0 114.436 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 63.23 5.07 1.82 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.261 1.824 . . . . 0.0 112.758 -168.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.63 15.88 80.83 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-O 118.228 -1.318 . . . . 0.0 114.349 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -157.02 161.53 39.54 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.66 1.73 . . . . 0.0 114.747 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.4 -154.21 6.99 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.679 1.609 . . . . 0.0 112.827 173.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -147.13 151.44 36.82 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.777 1.631 . . . . 0.0 111.087 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.36 131.31 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.491 1.116 . . . . 0.0 110.063 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -111.39 143.67 41.84 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.837 2.055 . . . . 0.0 107.464 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -115.57 153.75 30.64 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.584 1.154 . . . . 0.0 112.004 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.8 mmt -68.7 -14.63 63.15 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.203 1.001 . . . . 0.0 113.494 174.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -155.33 154.56 32.24 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.238 1.815 . . . . 0.0 110.55 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -62.8 -25.21 68.12 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.387 1.075 . . . . 0.0 112.544 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.1 -19.67 54.47 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.82 -23.9 31.71 Favored Glycine 0 CA--C 1.53 1.021 0 CA-C-N 119.705 1.139 . . . . 0.0 113.51 170.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.4 t -67.83 -45.61 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 118.434 1.117 . . . . 0.0 108.535 169.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.4 -47.98 62.76 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.417 1.487 . . . . 0.0 112.929 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -65.21 -35.51 81.27 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.35 -29.94 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.219 0.607 . . . . 0.0 111.306 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.6 mt -77.9 -38.2 46.26 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 121.45 -0.781 . . . . 0.0 111.901 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.31 -21.47 62.06 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -90.21 138.66 31.34 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.999 1.32 . . . . 0.0 110.996 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.2 m -84.43 -12.0 55.18 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.888 1.811 . . . . 0.0 115.888 -169.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -163.18 147.07 10.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.032 1.333 . . . . 0.0 111.807 -174.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -143.07 151.86 41.23 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.971 1.708 . . . . 0.0 109.877 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -151.71 127.8 10.43 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.231 -0.918 . . . . 0.0 110.635 -174.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.66 125.23 15.78 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.273 1.429 . . . . 0.0 109.305 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.9 t70 58.34 42.1 22.06 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.005 1.722 . . . . 0.0 112.652 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 m 67.23 20.41 10.16 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.913 1.685 . . . . 0.0 113.888 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -125.19 127.91 47.53 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.21 1.804 . . . . 0.0 109.064 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.1 m -71.5 120.84 17.65 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.8 pt -99.94 158.49 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 123.832 0.853 . . . . 0.0 110.892 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -130.91 82.89 62.81 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.483 1.513 . . . . 0.0 110.044 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -83.52 143.93 11.15 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.342 2.695 . . . . 0.0 111.471 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -141.61 159.43 42.23 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.675 1.99 . . . . 0.0 110.888 -169.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.52 132.05 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 121.076 -1.015 . . . . 0.0 109.402 170.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.63 140.34 38.44 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.563 0.745 . . . . 0.0 112.894 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -63.1 158.46 55.04 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.282 1.033 . . . . 0.0 111.301 169.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -53.23 164.26 1.94 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 124.61 3.54 . . . . 0.0 115.271 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -138.64 165.08 27.84 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.888 1.275 . . . . 0.0 113.733 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -141.56 127.96 19.98 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.233 1.813 . . . . 0.0 109.958 175.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -155.94 140.49 16.88 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.803 2.041 . . . . 0.0 109.05 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -161.94 138.58 6.15 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.303 1.041 . . . . 0.0 110.107 -169.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.89 131.6 17.2 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.492 2.794 . . . . 0.0 110.448 174.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.79 1.636 . . . . 0.0 111.692 -176.071 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 0 C5'-C4'-C3' 111.172 -2.885 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.425 1 O4'-C1'-N19 112.65 4.45 . 0.533 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.527 0 O5'-C5'-C4' 113.339 2.242 . 0.216 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 1 O4'-C1'-N19 113.964 5.764 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.302 1 O4'-C1'-N19 112.428 4.228 . 0.0 OUTLIER '7D dist 1z' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.7 m . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 119.779 -0.153 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -147.38 147.34 30.19 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.913 -1.117 . . . . 0.0 113.562 -174.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.6 mtp -138.16 134.56 34.7 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.657 1.583 . . . . 0.0 111.945 -173.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -82.33 134.89 35.28 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.838 1.655 . . . . 0.0 107.171 168.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.2 mm -116.1 98.59 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.122 0.969 . . . . 0.0 108.488 -173.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.28 166.01 30.49 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.868 0.747 . . . . 0.0 112.968 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.52 16.55 78.95 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-O 119.041 -0.866 . . . . 0.0 114.98 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.33 163.86 6.11 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.612 1.206 . . . . 0.0 112.358 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.4 t -78.55 151.78 32.26 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.974 0.509 . . . . 0.0 110.723 169.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -61.27 -14.81 29.16 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.008 -1.057 . . . . 0.0 113.38 169.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -102.4 1.19 35.06 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.368 1.467 . . . . 0.0 113.418 176.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 m -71.53 139.66 49.58 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.666 1.121 . . . . 0.0 110.114 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 p -119.74 162.43 19.06 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.915 1.686 . . . . 0.0 110.238 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.25 -22.97 63.8 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.7 -36.56 70.6 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.824 0.45 . . . . 0.0 110.279 168.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.43 -34.07 83.67 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.444 1.021 . . . . 0.0 112.418 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.8 -52.71 63.94 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.6 1.2 . . . . 0.0 110.551 169.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -55.15 -39.44 69.47 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.259 0.936 . . . . 0.0 112.409 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.67 -34.85 74.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.214 1.005 . . . . 0.0 112.979 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -88.28 -38.78 14.92 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.576 1.15 . . . . 0.0 113.289 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -85.29 -15.38 43.59 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -172.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.25 -8.92 46.76 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.614 1.102 . . . . 0.0 114.416 170.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.59 -26.8 60.16 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.726 1.211 . . . . 0.0 112.562 174.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.73 -36.39 9.13 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.293 1.037 . . . . 0.0 112.527 -171.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.72 173.64 44.53 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 126.392 1.949 . . . . 0.0 111.568 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -79.35 120.47 23.83 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 117.781 0.79 . . . . 0.0 109.747 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 m -78.81 145.21 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-O 121.239 0.543 . . . . 0.0 111.36 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -103.77 -29.35 11.09 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.014 1.726 . . . . 0.0 113.397 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -168.16 102.51 0.45 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.364 1.465 . . . . 0.0 109.147 -169.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 59.8 m -101.8 141.45 34.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.449 1.5 . . . . 0.0 110.117 174.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -144.67 147.28 32.86 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.574 1.15 . . . . 0.0 112.116 -177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.9 t -132.7 129.96 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.446 1.498 . . . . 0.0 107.911 168.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.2 mmt -93.96 45.66 1.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.27 1.428 . . . . 0.0 112.261 -169.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 -64.34 151.56 43.59 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -173.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -75.07 136.03 73.22 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.303 1.441 . . . . 0.0 109.934 170.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -83.01 -14.02 8.82 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.574 2.182 . . . . 0.0 113.912 -175.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.5 mt -93.1 -44.66 8.27 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.889 1.276 . . . . 0.0 111.212 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.7 p -101.3 -11.56 19.37 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.415 1.086 . . . . 0.0 112.844 -175.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 mptt 66.89 -1.45 1.37 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.97 2.508 . . . . 0.0 113.712 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.72 133.19 55.87 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.637 1.575 . . . . 0.0 110.499 174.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.0 p -66.07 -6.39 12.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.538 1.535 . . . . 0.0 114.59 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 63.76 7.17 3.03 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.489 1.916 . . . . 0.0 112.225 -168.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.72 17.06 79.34 Favored Glycine 0 C--N 1.341 0.826 0 CA-C-O 118.04 -1.422 . . . . 0.0 114.241 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -157.08 162.23 39.46 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.8 1.8 . . . . 0.0 115.07 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.47 -155.05 7.34 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 125.587 1.565 . . . . 0.0 112.664 171.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -144.89 150.71 37.52 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.455 1.502 . . . . 0.0 110.914 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.4 t -139.63 128.41 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.364 1.066 . . . . 0.0 110.209 170.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.5 m -105.38 146.86 28.87 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.415 1.886 . . . . 0.0 108.102 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -117.61 152.5 35.04 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.657 1.183 . . . . 0.0 111.441 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.83 -8.05 49.8 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.166 1.386 . . . . 0.0 113.024 169.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -156.32 149.51 24.33 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.693 1.997 . . . . 0.0 111.579 -170.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -76.54 -22.65 54.07 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.814 -0.554 . . . . 0.0 112.202 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.87 -25.59 68.37 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.66 -36.68 22.18 Favored Glycine 0 N--CA 1.469 0.871 0 CA-C-N 119.726 1.148 . . . . 0.0 112.655 171.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -59.1 -46.41 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 117.735 0.767 . . . . 0.0 109.495 172.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.37 -47.66 66.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.959 1.304 . . . . 0.0 112.935 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -65.8 -35.68 81.37 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.22 -29.15 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.072 0.549 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.7 mt -78.63 -38.31 40.03 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.238 -0.914 . . . . 0.0 111.8 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.08 -26.09 62.02 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -81.36 142.93 32.56 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.576 1.15 . . . . 0.0 111.66 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.0 p -79.36 -25.02 42.32 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -170.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.4 ttp-105 -155.99 150.45 25.81 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.248 1.419 . . . . 0.0 111.676 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -136.12 152.99 51.41 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.621 1.569 . . . . 0.0 110.51 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -156.8 130.15 8.03 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.505 -0.747 . . . . 0.0 111.036 -169.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.0 tp -152.67 132.72 13.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.958 1.703 . . . . 0.0 108.688 -173.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.6 t70 59.62 29.8 19.38 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.254 1.422 . . . . 0.0 112.301 -170.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 63.98 19.66 11.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.283 1.833 . . . . 0.0 113.559 -174.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -116.19 136.34 53.1 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.921 1.688 . . . . 0.0 109.516 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.7 m -79.08 118.53 21.14 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.927 0.891 . . . . 0.0 109.172 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 21.2 pt -104.55 153.6 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.835 0.854 . . . . 0.0 111.129 -176.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -130.08 75.5 79.31 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 125.634 1.574 . . . . 0.0 110.916 -171.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -81.72 149.37 16.19 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.831 3.021 . . . . 0.0 112.16 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -159.64 164.19 34.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.976 1.711 . . . . 0.0 111.876 -169.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.75 134.54 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 O-C-N 121.214 -0.929 . . . . 0.0 110.882 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.14 147.99 23.26 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -64.41 143.25 98.49 Favored Pre-proline 0 CA--C 1.551 0.983 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 165.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -62.7 154.13 67.61 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.431 2.754 . . . . 0.0 113.734 -168.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -83.0 169.91 15.47 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.86 1.264 . . . . 0.0 111.63 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -64.6 135.38 55.9 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.443 -0.786 . . . . 0.0 111.265 173.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -165.51 167.23 17.69 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.3 1.84 . . . . 0.0 111.175 -175.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -142.99 145.21 32.22 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 125.6 1.56 . . . . 0.0 109.773 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.05 166.6 27.42 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.987 3.125 . . . . 0.0 112.964 -174.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm . . . . . 0 C--O 1.254 1.301 0 C-N-CA 126.376 1.87 . . . . 0.0 111.683 -174.308 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 C5'-C4'-C3' 111.162 -2.892 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.154 0 O4'-C1'-N19 111.958 3.758 . 0.32 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 O5'-C5'-C4' 113.231 2.165 . 0.226 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 1 O4'-C1'-N19 113.794 5.594 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 1 O4'-C1'-N19 113.048 4.848 . 0.0 OUTLIER '7D dist 1o' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 N--CA 1.485 1.311 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.1 tttt 87.28 137.65 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 129.445 3.098 . . . . 0.0 114.385 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.9 mtp -140.44 137.27 33.81 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 126.283 1.833 . . . . 0.0 111.77 -174.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -83.18 135.46 34.78 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.937 1.695 . . . . 0.0 107.318 167.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.3 mm -115.82 98.28 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.203 1.001 . . . . 0.0 108.712 -173.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.28 160.54 22.94 Favored Glycine 0 N--CA 1.471 0.975 0 C-N-CA 124.108 0.861 . . . . 0.0 113.623 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.63 15.46 79.53 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.446 1.022 . . . . 0.0 115.105 173.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.97 163.5 7.71 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.115 1.366 . . . . 0.0 112.485 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 t -79.86 152.01 29.89 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.589 -0.695 . . . . 0.0 110.672 169.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -61.9 -12.51 18.26 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.813 -1.179 . . . . 0.0 113.443 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -88.01 -14.6 38.64 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.913 1.685 . . . . 0.0 113.233 173.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.6 m -72.26 141.29 48.93 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.38 0.991 . . . . 0.0 112.007 -169.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.2 p -117.55 160.36 21.37 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.553 1.941 . . . . 0.0 110.715 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -70.42 -27.45 64.28 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.481 0.713 . . . . 0.0 112.719 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.54 -37.54 87.02 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.716 0.807 . . . . 0.0 110.412 168.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.65 -34.43 78.4 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.611 1.101 . . . . 0.0 112.547 173.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.43 -51.42 68.8 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.659 1.23 . . . . 0.0 110.383 169.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -56.1 -37.86 69.95 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.814 0.733 . . . . 0.0 112.528 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -59.75 -35.77 75.27 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.881 0.872 . . . . 0.0 112.91 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -88.57 -41.32 12.75 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.893 1.277 . . . . 0.0 113.088 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -81.64 -22.23 37.7 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.406 1.082 . . . . 0.0 113.482 -175.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.18 -13.96 55.1 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.978 1.275 . . . . 0.0 114.147 171.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -78.72 -19.44 52.39 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.646 1.178 . . . . 0.0 112.656 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -98.46 -35.66 10.19 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.444 1.498 . . . . 0.0 111.446 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.84 156.63 21.02 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.146 1.355 . . . . 0.0 112.138 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.72 130.81 47.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.441 0.621 . . . . 0.0 110.338 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 m -90.64 135.26 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.649 0.737 . . . . 0.0 111.194 -175.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -80.11 -27.07 39.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.618 1.967 . . . . 0.0 112.722 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -167.07 141.76 3.95 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.684 1.994 . . . . 0.0 108.122 -171.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.9 p -141.63 144.46 34.18 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.898 1.279 . . . . 0.0 109.878 171.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -146.76 146.31 30.24 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.806 1.242 . . . . 0.0 111.453 -172.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.23 128.24 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.279 1.432 . . . . 0.0 107.428 167.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.2 mmt -89.73 46.4 1.36 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.015 1.326 . . . . 0.0 112.269 -169.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -66.12 146.81 54.22 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -72.41 131.24 84.99 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 125.091 1.356 . . . . 0.0 110.009 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -79.89 -13.19 13.08 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.452 2.102 . . . . 0.0 113.943 -173.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.3 mt -90.08 -38.89 13.25 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.306 0.957 . . . . 0.0 111.688 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.3 p -112.87 -9.85 13.61 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.518 1.527 . . . . 0.0 113.527 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 67.23 0.2 1.99 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.925 2.49 . . . . 0.0 113.886 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -58.5 130.07 45.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.983 1.713 . . . . 0.0 110.589 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.4 p -66.93 -7.77 24.53 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.286 1.435 . . . . 0.0 114.684 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 64.16 7.1 3.25 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.309 1.844 . . . . 0.0 112.315 -168.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.97 17.41 78.49 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-O 118.079 -1.401 . . . . 0.0 114.329 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.26 162.63 39.21 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.811 1.806 . . . . 0.0 115.152 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.06 -156.06 7.66 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 125.444 1.497 . . . . 0.0 112.987 171.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -145.78 150.7 36.69 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.519 1.528 . . . . 0.0 111.07 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.1 t -142.19 135.56 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.513 1.125 . . . . 0.0 110.049 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.3 m -117.73 141.89 47.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.296 1.838 . . . . 0.0 108.398 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.72 155.24 19.89 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.465 1.106 . . . . 0.0 112.251 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.5 mmt -69.33 -15.14 63.27 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.218 1.007 . . . . 0.0 113.417 171.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -155.99 153.93 30.3 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.128 1.771 . . . . 0.0 110.832 174.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -59.99 -26.06 65.74 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.679 1.191 . . . . 0.0 113.099 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.49 -23.73 58.66 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.84 -30.83 31.0 Favored Glycine 0 N--CA 1.469 0.897 0 CA-C-N 119.111 0.869 . . . . 0.0 113.19 172.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.96 -47.02 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.105 0.952 . . . . 0.0 109.125 172.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -51.65 -45.14 63.23 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.656 1.182 . . . . 0.0 112.685 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.16 -38.83 89.05 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.74 -29.21 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.001 0.52 . . . . 0.0 111.15 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.5 -39.02 39.36 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.261 -0.899 . . . . 0.0 112.027 173.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.21 -25.73 63.55 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -85.43 134.52 34.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.562 1.145 . . . . 0.0 110.646 175.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -81.0 -12.09 59.44 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -169.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -161.23 146.88 14.16 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.206 1.403 . . . . 0.0 111.682 -172.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -141.71 153.85 44.91 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.418 1.487 . . . . 0.0 110.921 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -153.24 129.6 10.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.784 1.234 . . . . 0.0 109.843 -173.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.2 tp -155.09 133.28 11.68 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.796 1.638 . . . . 0.0 108.986 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.5 t0 61.24 38.66 16.46 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.871 1.269 . . . . 0.0 112.63 172.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 m 68.99 26.58 5.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.674 1.99 . . . . 0.0 114.137 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -139.6 138.29 36.07 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.008 1.323 . . . . 0.0 110.379 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.8 m -74.88 122.57 23.6 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 170.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 41.6 pt -108.16 154.02 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.856 0.862 . . . . 0.0 111.412 -174.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -128.25 68.29 76.55 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.502 1.521 . . . . 0.0 111.257 -171.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.24 146.78 36.53 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.831 3.02 . . . . 0.0 111.682 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -157.02 163.57 38.93 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.659 1.583 . . . . 0.0 112.044 -169.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.58 134.13 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 123.848 0.859 . . . . 0.0 110.602 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.15 142.91 31.82 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -64.88 162.0 41.43 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 124.731 1.212 . . . . 0.0 111.061 168.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -51.62 158.99 3.69 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.538 3.492 . . . . 0.0 115.18 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -130.75 165.8 22.14 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 124.977 1.311 . . . . 0.0 113.696 -169.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -69.6 125.88 28.06 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.859 0.864 . . . . 0.0 109.82 168.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -166.85 169.74 12.94 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.426 1.891 . . . . 0.0 111.102 -174.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -71.7 135.32 83.51 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 123.639 0.776 . . . . 0.0 110.28 174.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.68 108.74 2.77 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.537 2.825 . . . . 0.0 110.792 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.821 2.048 . . . . 0.0 111.294 -178.339 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.413 0 O4'-C4'-C3' 108.428 2.091 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.249 1 O4'-C1'-N19 112.309 4.109 . 0.58 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 O5'-C5'-C4' 113.296 2.211 . 0.233 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.32 1 O4'-C1'-N19 113.378 5.178 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.42 0 O4'-C1'-N19 111.784 3.584 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.2 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 119.672 -0.204 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -145.51 147.14 31.82 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.75 -1.218 . . . . 0.0 113.833 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtp -138.56 137.04 36.65 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.79 1.636 . . . . 0.0 112.271 -174.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -83.68 134.63 34.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.032 1.733 . . . . 0.0 107.212 167.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 mm -114.78 96.29 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.132 0.973 . . . . 0.0 108.623 -173.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.15 163.75 30.56 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 123.885 0.755 . . . . 0.0 113.113 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.74 19.17 79.71 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.196 0.903 . . . . 0.0 115.019 172.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.9 mt -62.68 163.92 8.48 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.425 1.112 . . . . 0.0 112.275 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 t -75.75 150.29 37.82 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.895 -0.503 . . . . 0.0 110.413 169.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -58.69 -16.75 17.79 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -112.22 7.62 19.52 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.044 1.738 . . . . 0.0 113.953 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.1 m -65.17 140.54 58.78 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.607 1.094 . . . . 0.0 109.905 173.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.2 p -115.41 159.67 20.84 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.532 1.533 . . . . 0.0 110.806 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -70.32 -23.66 62.87 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.57 -37.81 74.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.587 0.355 . . . . 0.0 110.19 167.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.06 -32.39 82.3 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.61 1.1 . . . . 0.0 112.662 173.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.47 -52.47 64.41 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.634 1.217 . . . . 0.0 110.99 169.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.52 -39.74 73.85 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.466 1.03 . . . . 0.0 112.135 176.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.13 -34.21 71.79 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.162 0.985 . . . . 0.0 113.119 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -88.02 -41.1 13.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.398 1.079 . . . . 0.0 113.449 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.69 -18.55 40.52 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -172.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.91 -11.49 50.89 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.636 1.113 . . . . 0.0 114.375 171.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -71.27 -27.11 63.21 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.56 1.144 . . . . 0.0 112.32 172.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -100.01 -34.66 9.99 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.994 1.318 . . . . 0.0 111.64 -176.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.74 153.44 11.5 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.095 1.807 . . . . 0.0 111.544 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.52 147.32 51.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 117.865 0.833 . . . . 0.0 110.841 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.7 m -106.84 137.4 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.683 1.193 . . . . 0.0 111.659 -169.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -85.09 -23.13 28.65 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.077 2.151 . . . . 0.0 112.75 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -168.47 140.34 2.78 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.237 2.215 . . . . 0.0 107.905 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.0 m -140.29 136.62 33.45 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.727 1.611 . . . . 0.0 109.038 175.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.1 mt -145.04 144.26 30.9 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.272 1.029 . . . . 0.0 111.918 -171.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -132.12 129.2 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.376 1.471 . . . . 0.0 107.518 168.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.4 mmt -90.26 44.9 1.23 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.009 1.323 . . . . 0.0 112.302 -169.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -66.2 148.91 51.13 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -172.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.6 130.3 85.85 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.063 1.345 . . . . 0.0 110.084 170.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.51 -12.42 13.9 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.421 2.08 . . . . 0.0 114.316 -172.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.3 mp -88.01 -43.69 11.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.513 1.051 . . . . 0.0 111.09 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.2 p -106.77 -12.29 15.55 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.167 1.387 . . . . 0.0 113.318 -171.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 66.42 3.13 2.7 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.886 2.474 . . . . 0.0 113.404 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -55.95 124.05 16.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.177 1.791 . . . . 0.0 110.665 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.2 p -65.5 -8.57 20.08 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 64.79 5.45 2.83 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.501 1.92 . . . . 0.0 112.458 -168.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.12 16.81 77.99 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-O 118.131 -1.372 . . . . 0.0 114.235 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -157.7 163.08 38.54 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.79 1.795 . . . . 0.0 115.151 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.0 -155.37 7.43 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.496 1.522 . . . . 0.0 112.95 170.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -146.96 149.21 32.74 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.527 1.531 . . . . 0.0 111.33 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.1 t -141.35 130.12 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.516 1.126 . . . . 0.0 110.154 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.9 m -109.42 137.64 46.97 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.134 1.773 . . . . 0.0 107.65 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -105.42 154.4 20.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.076 0.95 . . . . 0.0 111.879 -176.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.9 mmt -70.95 -8.35 52.49 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.534 1.134 . . . . 0.0 113.313 171.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -160.88 158.75 28.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.958 2.103 . . . . 0.0 111.642 -174.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -78.72 -22.52 46.45 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.86 -0.525 . . . . 0.0 112.412 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.06 71.55 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.95 -39.99 58.03 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 119.207 0.912 . . . . 0.0 112.594 171.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.03 -48.45 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 117.72 0.76 . . . . 0.0 109.77 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -53.74 -44.79 70.24 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.594 1.158 . . . . 0.0 112.604 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -67.57 -35.39 78.92 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.2 t -70.65 -28.79 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.016 0.526 . . . . 0.0 111.117 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.9 mt -79.06 -38.87 35.32 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.177 -0.952 . . . . 0.0 111.723 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.83 -25.41 61.97 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -85.7 138.58 32.02 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.424 1.09 . . . . 0.0 111.461 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.6 m -82.59 -4.87 58.33 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -169.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -162.08 144.62 11.46 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.557 1.543 . . . . 0.0 111.224 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -139.56 150.53 45.17 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.249 1.42 . . . . 0.0 110.574 173.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -153.0 130.27 11.26 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.778 0.831 . . . . 0.0 111.102 -171.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -150.88 132.96 15.26 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.744 1.618 . . . . 0.0 108.941 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.8 t70 58.25 30.76 19.95 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.362 1.465 . . . . 0.0 112.397 -169.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.2 m 65.96 16.39 10.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.34 1.856 . . . . 0.0 113.63 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -111.3 138.45 47.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.726 1.61 . . . . 0.0 109.731 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.7 m -74.14 117.58 16.1 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.2 pt -103.66 151.57 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.355 0.662 . . . . 0.0 111.149 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -127.7 70.2 76.81 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 125.554 1.542 . . . . 0.0 111.301 -172.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -76.98 149.23 28.68 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.974 3.116 . . . . 0.0 112.082 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -159.48 164.85 34.11 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.847 1.659 . . . . 0.0 111.869 -169.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.74 134.89 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.256 -0.903 . . . . 0.0 110.86 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.81 142.19 30.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.067 0.947 . . . . 0.0 113.202 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -64.77 158.12 70.8 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 124.211 1.004 . . . . 0.0 110.784 168.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -51.67 160.07 2.98 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 124.685 3.59 . . . . 0.0 115.443 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.57 147.87 40.09 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.696 1.198 . . . . 0.0 113.814 -170.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.37 129.48 41.4 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.566 1.546 . . . . 0.0 111.518 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -167.84 158.84 11.1 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.244 2.217 . . . . 0.0 110.379 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -145.09 147.23 33.75 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 125.284 1.434 . . . . 0.0 110.284 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.18 144.87 34.07 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.534 2.823 . . . . 0.0 111.252 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.34 1.856 . . . . 0.0 112.683 -177.89 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 O4'-C1'-N19 110.724 2.524 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.151 0 O4'-C1'-N19 111.729 3.529 . 0.067 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O5'-C5'-C4' 113.286 2.204 . 0.233 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 1 O4'-C1'-N19 113.426 5.226 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 O4'-C1'-N19 111.705 3.505 . 0.161 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.2 tttt 97.76 138.37 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 129.985 3.314 . . . . 0.0 114.544 172.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.4 mtp -138.6 135.68 35.21 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 126.386 1.874 . . . . 0.0 111.678 -175.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -81.38 131.1 35.27 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.928 1.691 . . . . 0.0 106.442 168.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.5 mm -111.12 95.21 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -172.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.52 167.14 32.21 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.973 0.797 . . . . 0.0 113.02 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.54 14.38 79.62 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.233 0.921 . . . . 0.0 114.988 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.56 162.4 10.49 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.528 1.164 . . . . 0.0 112.219 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.1 t -77.44 147.48 35.94 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.411 168.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -58.34 -14.63 7.89 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 176.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -105.31 7.46 33.41 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.633 1.573 . . . . 0.0 112.926 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.9 m -69.94 145.49 51.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.414 1.086 . . . . 0.0 110.919 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.6 p -121.51 159.09 27.03 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.731 1.613 . . . . 0.0 110.581 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.02 -27.75 68.35 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.33 -36.73 74.45 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.861 -0.524 . . . . 0.0 110.844 169.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.04 -33.13 84.56 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.352 0.977 . . . . 0.0 112.297 173.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 mt -62.27 -51.95 65.68 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.365 1.083 . . . . 0.0 110.895 169.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -56.68 -39.28 73.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.334 0.97 . . . . 0.0 112.185 176.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -58.61 -33.39 69.96 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.279 1.031 . . . . 0.0 113.042 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -89.7 -41.33 11.98 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.354 1.062 . . . . 0.0 113.379 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -81.79 -19.05 42.03 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -172.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.52 -10.76 50.65 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.691 1.139 . . . . 0.0 114.371 172.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -71.23 -26.02 62.74 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.553 1.141 . . . . 0.0 112.38 172.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -101.44 -38.73 7.88 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.223 1.409 . . . . 0.0 111.439 -176.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.32 154.04 14.82 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 126.329 1.919 . . . . 0.0 111.051 173.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.98 145.29 56.12 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.269 1.035 . . . . 0.0 110.882 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.8 m -99.11 131.38 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 124.13 0.972 . . . . 0.0 110.772 -173.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -79.95 -23.39 41.7 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.619 1.968 . . . . 0.0 112.526 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -170.93 140.49 1.59 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.458 2.303 . . . . 0.0 107.468 -172.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.08 145.3 30.5 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.675 1.19 . . . . 0.0 110.202 176.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.1 mt -149.72 152.03 34.63 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.683 1.193 . . . . 0.0 111.13 -169.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -134.53 126.73 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.838 1.655 . . . . 0.0 106.72 169.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.3 mmt -95.46 42.59 1.09 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.204 1.402 . . . . 0.0 112.607 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -59.78 153.32 20.85 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.26 1.424 . . . . 0.0 114.415 -172.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.5 129.22 92.81 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.788 1.235 . . . . 0.0 109.987 169.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -79.46 -12.03 14.13 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.389 2.059 . . . . 0.0 114.202 -172.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.09 -42.46 12.36 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.543 1.065 . . . . 0.0 111.193 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.5 p -108.25 -11.62 15.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.896 1.279 . . . . 0.0 113.478 -171.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 65.84 2.46 2.18 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.934 2.494 . . . . 0.0 113.573 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.4 mtp-105 -57.98 126.34 27.02 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.864 2.065 . . . . 0.0 110.497 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 p -62.12 -8.51 5.6 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 60.04 11.74 2.83 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.68 1.592 . . . . 0.0 112.473 -168.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.72 17.79 78.29 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-O 117.847 -1.529 . . . . 0.0 114.047 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -155.77 158.33 37.99 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.74 -157.17 8.06 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 126.124 1.821 . . . . 0.0 112.585 173.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -147.39 147.11 29.92 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.323 1.449 . . . . 0.0 111.047 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.9 t -141.63 126.69 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.396 1.078 . . . . 0.0 110.61 174.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 m -101.97 138.42 38.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.639 1.976 . . . . 0.0 107.967 170.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -105.6 149.58 26.18 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.964 0.906 . . . . 0.0 111.281 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.0 mtp -72.62 -6.91 47.5 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.429 1.092 . . . . 0.0 113.549 173.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -153.63 152.07 30.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.492 2.317 . . . . 0.0 110.801 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -75.13 -25.75 58.65 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.696 -0.628 . . . . 0.0 112.273 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.22 -32.51 70.02 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.695 0.798 . . . . 0.0 112.941 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.54 -34.3 78.65 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 119.361 0.982 . . . . 0.0 112.932 173.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 80.6 t -66.42 -48.19 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 118.251 1.025 . . . . 0.0 109.352 173.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.91 -44.04 70.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.073 0.949 . . . . 0.0 112.606 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -67.41 -36.32 81.03 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 82.0 t -70.64 -30.16 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.337 0.655 . . . . 0.0 111.066 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.0 mt -77.03 -38.51 52.68 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.178 -0.951 . . . . 0.0 111.848 173.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.59 -20.51 61.29 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -90.81 138.46 31.57 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.833 1.253 . . . . 0.0 111.371 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -83.65 -5.43 59.18 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -169.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -161.65 144.85 12.3 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.539 1.536 . . . . 0.0 111.216 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.09 151.39 45.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.31 1.444 . . . . 0.0 110.655 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -153.2 130.93 11.58 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.749 0.819 . . . . 0.0 111.033 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.8 tp -150.08 131.99 15.16 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.681 1.592 . . . . 0.0 108.996 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 58.32 33.03 22.77 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.567 1.547 . . . . 0.0 112.327 -171.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m 66.0 17.82 10.89 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.585 1.954 . . . . 0.0 113.926 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -116.01 139.22 50.48 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.734 1.614 . . . . 0.0 109.9 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 m -75.87 115.89 16.02 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.2 pt -100.17 150.43 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.26 0.624 . . . . 0.0 111.137 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -129.7 67.4 79.15 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 125.691 1.597 . . . . 0.0 111.466 -172.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -73.79 148.24 40.89 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 124.141 3.227 . . . . 0.0 111.993 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -157.77 163.78 37.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.077 1.751 . . . . 0.0 111.681 -171.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.8 134.1 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 121.122 -0.986 . . . . 0.0 111.136 -174.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.28 149.46 23.79 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -66.94 150.43 97.87 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.181 166.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -50.15 145.06 21.01 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 124.482 3.455 . . . . 0.0 115.422 -171.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -90.06 150.05 22.25 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.78 1.232 . . . . 0.0 112.338 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -142.31 126.28 17.25 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.892 1.677 . . . . 0.0 109.716 174.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -168.23 154.55 7.35 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.001 1.72 . . . . 0.0 111.094 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -146.21 136.29 11.95 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.55 1.54 . . . . 0.0 109.644 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.29 156.17 46.29 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.93 3.087 . . . . 0.0 111.649 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.272 1.429 . . . . 0.0 112.061 -169.809 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 0 O4'-C4'-C3' 108.586 2.204 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.153 0 O4'-C1'-N19 111.855 3.655 . 0.088 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 O5'-C5'-C4' 113.283 2.202 . 0.224 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 1 O4'-C1'-N19 112.375 4.175 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 O4'-C1'-N19 112.098 3.898 . 0.056 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -96.86 144.7 26.56 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 121.529 1.968 . . . . 0.0 113.404 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.7 mtp -139.05 137.89 36.67 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.409 1.884 . . . . 0.0 111.952 -174.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -83.86 139.71 32.47 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.896 1.679 . . . . 0.0 108.259 168.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 mm -121.9 102.8 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.178 0.991 . . . . 0.0 109.036 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.34 167.56 26.28 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.242 0.925 . . . . 0.0 113.338 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.73 12.95 82.57 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.46 1.029 . . . . 0.0 115.245 173.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.63 159.64 12.9 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.972 1.309 . . . . 0.0 112.442 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 t -76.88 152.38 35.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.711 0.767 . . . . 0.0 111.473 173.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -62.98 -6.6 4.04 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.292 1.037 . . . . 0.0 113.267 168.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -114.66 6.35 15.66 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.414 1.486 . . . . 0.0 113.417 173.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.3 m -70.53 143.66 51.57 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.652 1.115 . . . . 0.0 110.459 172.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.7 p -124.75 162.21 24.73 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.111 1.765 . . . . 0.0 110.208 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -65.45 -29.62 70.31 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.49 -36.88 79.55 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.864 -0.523 . . . . 0.0 110.861 170.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.8 -33.41 85.8 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.327 0.965 . . . . 0.0 112.454 173.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -61.94 -51.73 66.94 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.495 1.148 . . . . 0.0 111.165 169.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -57.71 -38.69 75.69 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.45 1.023 . . . . 0.0 112.191 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.18 -33.3 70.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.999 0.92 . . . . 0.0 112.846 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -88.94 -42.2 11.95 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.47 1.108 . . . . 0.0 113.402 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -81.33 -19.52 42.66 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 -10.42 48.46 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.76 1.171 . . . . 0.0 114.321 172.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.81 -26.62 63.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.619 1.167 . . . . 0.0 112.337 171.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -101.47 -30.11 11.61 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.065 1.346 . . . . 0.0 112.251 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.9 156.27 11.96 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 127.034 2.254 . . . . 0.0 111.286 176.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.08 147.05 53.93 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.466 1.133 . . . . 0.0 111.153 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.9 m -103.73 131.44 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.499 1.119 . . . . 0.0 111.168 -174.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -81.3 -24.17 37.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.337 2.255 . . . . 0.0 112.977 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -161.33 147.92 14.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.436 1.894 . . . . 0.0 108.614 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.6 p -150.73 141.27 22.54 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.976 1.31 . . . . 0.0 110.06 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -147.8 151.71 36.46 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.661 1.584 . . . . 0.0 111.015 -171.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -138.91 127.36 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.974 1.71 . . . . 0.0 106.571 169.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.4 mmt -88.73 49.8 1.85 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.216 1.006 . . . . 0.0 112.167 -169.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -74.79 145.54 42.83 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -175.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.3 132.1 70.63 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.215 1.406 . . . . 0.0 109.992 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.36 -12.46 12.77 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.65 2.233 . . . . 0.0 114.057 -174.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 73.8 mt -94.7 -43.38 8.29 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.753 1.221 . . . . 0.0 111.321 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.0 p -104.4 -7.71 19.7 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.749 1.22 . . . . 0.0 112.977 -174.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 64.53 0.49 1.11 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.983 2.513 . . . . 0.0 113.769 176.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.4 mmt-85 -61.87 134.88 57.25 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.651 1.18 . . . . 0.0 110.267 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.3 p -80.85 -2.55 47.82 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.57 1.148 . . . . 0.0 113.474 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 61.5 2.44 0.67 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.913 1.685 . . . . 0.0 112.39 -168.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.52 21.8 77.69 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.456 1.503 . . . . 0.0 113.882 -174.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -155.45 160.45 40.62 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.845 1.822 . . . . 0.0 115.158 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.65 -157.57 8.49 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.764 1.649 . . . . 0.0 112.918 173.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -145.83 151.65 38.25 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.174 1.39 . . . . 0.0 111.244 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.7 t -143.38 134.92 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.882 1.273 . . . . 0.0 109.799 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.7 m -111.67 133.52 53.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.182 1.393 . . . . 0.0 108.105 170.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -91.97 152.49 19.99 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.696 0.798 . . . . 0.0 112.114 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.8 mtt -72.16 -8.85 57.03 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.086 0.954 . . . . 0.0 113.454 170.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -157.01 142.85 17.75 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.521 1.928 . . . . 0.0 111.421 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -68.61 -23.99 64.52 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.357 0.663 . . . . 0.0 112.114 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.79 -19.61 64.2 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.58 -33.83 18.11 Favored Glycine 0 N--CA 1.468 0.824 0 CA-C-N 119.771 1.168 . . . . 0.0 112.555 170.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.65 -46.09 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 117.955 0.878 . . . . 0.0 109.464 170.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -50.03 -47.45 53.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.459 1.104 . . . . 0.0 112.702 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -65.73 -35.75 81.62 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -70.94 -31.95 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.251 0.62 . . . . 0.0 111.319 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -77.25 -38.02 51.9 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.178 -0.951 . . . . 0.0 111.972 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.44 -17.14 62.39 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -176.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -94.64 137.32 33.89 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.711 1.204 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.2 m -80.11 -10.04 59.74 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -169.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -162.87 148.14 11.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.492 1.517 . . . . 0.0 111.43 -176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -136.88 154.44 50.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.593 1.557 . . . . 0.0 110.759 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -152.13 132.24 13.51 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.156 0.982 . . . . 0.0 110.642 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.4 tp -149.38 130.1 14.12 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.507 1.523 . . . . 0.0 108.884 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.0 t70 59.61 35.35 22.49 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.562 1.545 . . . . 0.0 112.585 -174.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 66.1 18.58 11.03 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.287 1.835 . . . . 0.0 113.895 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -117.95 131.83 56.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.289 1.836 . . . . 0.0 109.616 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.2 m -66.43 121.38 15.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.512 1.125 . . . . 0.0 108.677 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.1 pt -107.18 156.02 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.369 0.668 . . . . 0.0 111.103 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -128.69 80.61 72.31 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.4 1.48 . . . . 0.0 110.619 -173.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -86.36 140.62 6.49 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.921 3.081 . . . . 0.0 111.399 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -157.09 165.19 36.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.555 1.542 . . . . 0.0 112.156 -169.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.44 133.92 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 O-C-N 121.283 -0.886 . . . . 0.0 110.713 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.5 140.35 37.31 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.948 0.899 . . . . 0.0 113.356 -176.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -64.31 160.63 48.45 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 124.809 1.243 . . . . 0.0 111.379 168.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -52.77 166.17 0.94 Allowed 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 124.714 3.609 . . . . 0.0 115.712 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.18 143.05 29.02 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.742 1.617 . . . . 0.0 112.671 -170.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -119.75 126.84 52.02 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.507 1.523 . . . . 0.0 110.624 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -165.41 163.76 19.7 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.578 1.951 . . . . 0.0 110.895 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -144.07 146.23 33.07 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.511 1.524 . . . . 0.0 109.942 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -74.34 140.84 27.96 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.385 2.723 . . . . 0.0 110.882 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.18 1.792 . . . . 0.0 111.443 -177.484 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 O4'-C4'-C3' 108.475 2.125 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.082 0 O4'-C1'-N19 111.833 3.633 . 0.549 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.916 0 O5'-C5'-C4' 113.774 2.553 . 0.224 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.299 1 O4'-C1'-N19 114.067 5.867 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.231 1 O4'-C1'-N19 112.3 4.1 . 0.119 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -115.14 147.1 40.68 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.931 1.696 . . . . 0.0 113.349 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.6 mtp -138.71 139.22 38.31 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 126.307 1.843 . . . . 0.0 112.379 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -82.6 139.24 33.9 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.195 1.798 . . . . 0.0 107.435 167.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mm -122.4 102.42 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.201 1.0 . . . . 0.0 109.316 -175.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.62 171.85 30.87 Favored Glycine 0 N--CA 1.474 1.179 0 C-N-CA 124.037 0.827 . . . . 0.0 113.254 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.44 18.0 78.08 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.187 0.899 . . . . 0.0 115.127 171.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.09 166.8 15.29 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.84 1.256 . . . . 0.0 112.258 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.2 t -82.26 151.27 26.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.441 0.696 . . . . 0.0 110.611 169.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -62.73 -10.83 14.11 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.786 -1.196 . . . . 0.0 113.2 169.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -98.92 -6.7 28.33 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.525 1.93 . . . . 0.0 112.874 174.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.2 m -69.16 140.96 54.68 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.76 1.164 . . . . 0.0 110.74 176.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.6 p -122.87 165.4 16.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.252 1.821 . . . . 0.0 110.374 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -66.13 -25.6 67.06 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 176.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.51 -36.69 71.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.88 0.472 . . . . 0.0 110.743 169.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.53 87.45 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.176 0.893 . . . . 0.0 112.341 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.14 -52.19 65.92 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 118.491 1.146 . . . . 0.0 110.753 169.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -56.3 -38.45 71.27 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.043 0.838 . . . . 0.0 112.401 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.55 -35.08 75.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.212 1.005 . . . . 0.0 112.952 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -88.02 -39.39 14.7 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.422 1.089 . . . . 0.0 113.166 177.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -82.63 -16.76 47.11 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -174.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 -11.59 44.32 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.568 1.08 . . . . 0.0 114.401 170.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -73.16 -26.2 61.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.815 1.246 . . . . 0.0 112.578 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -102.45 -19.98 14.71 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.878 1.271 . . . . 0.0 112.779 -173.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.9 165.4 22.13 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 126.198 1.856 . . . . 0.0 111.93 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.59 130.05 41.71 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 122.058 -0.672 . . . . 0.0 109.984 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.2 m -86.3 135.25 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-O 121.66 0.743 . . . . 0.0 111.05 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -83.02 -25.92 31.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.715 2.006 . . . . 0.0 112.403 172.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -162.42 145.62 11.44 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.724 1.61 . . . . 0.0 109.422 -174.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.7 m -141.31 140.86 33.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.777 1.631 . . . . 0.0 109.305 171.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.9 mt -144.22 153.14 41.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.562 1.545 . . . . 0.0 111.122 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -138.71 129.73 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.725 1.61 . . . . 0.0 107.5 169.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.6 mmt -92.32 51.61 1.8 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.581 1.153 . . . . 0.0 111.796 -169.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -70.17 149.06 47.93 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.208 1.003 . . . . 0.0 113.624 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -75.2 130.51 80.2 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.127 1.371 . . . . 0.0 110.311 170.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -81.57 -10.54 11.97 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.546 2.164 . . . . 0.0 114.5 -173.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.7 -34.44 14.65 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.615 1.098 . . . . 0.0 111.842 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.6 p -117.17 -10.34 10.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.12 1.368 . . . . 0.0 113.467 -172.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.26 2.01 2.21 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.838 2.455 . . . . 0.0 113.969 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -57.57 130.16 45.12 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.755 1.622 . . . . 0.0 110.281 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.0 p -69.86 -4.99 22.75 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.008 1.323 . . . . 0.0 114.444 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 61.24 7.77 1.79 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.904 1.682 . . . . 0.0 112.1 -167.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.09 18.67 79.76 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.004 -1.442 . . . . 0.0 114.087 -178.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -156.26 160.22 39.59 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.969 1.885 . . . . 0.0 115.586 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.43 -156.6 7.99 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 125.813 1.673 . . . . 0.0 113.048 174.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -147.05 151.63 37.23 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.397 1.479 . . . . 0.0 111.016 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.9 t -143.5 138.17 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.547 1.139 . . . . 0.0 110.086 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.6 m -118.55 138.95 52.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.295 1.438 . . . . 0.0 108.562 173.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -98.05 156.65 16.55 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.545 1.138 . . . . 0.0 112.167 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.5 mmt -65.12 -17.41 64.44 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 171.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -155.55 156.41 35.09 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.344 1.858 . . . . 0.0 110.884 173.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -58.53 -26.1 63.16 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.825 1.25 . . . . 0.0 113.466 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.09 -18.63 48.45 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.53 -27.62 26.77 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-N 119.435 1.016 . . . . 0.0 113.242 170.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.64 -45.6 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.326 1.063 . . . . 0.0 109.089 169.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -49.62 -47.26 49.87 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.578 1.151 . . . . 0.0 112.662 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -66.17 -35.98 81.88 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.74 -31.34 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.168 0.587 . . . . 0.0 111.222 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.8 mt -77.3 -38.2 51.14 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.226 -0.921 . . . . 0.0 112.091 174.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -16.92 62.68 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -176.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -95.61 136.9 35.41 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.929 1.291 . . . . 0.0 110.698 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -81.25 -11.02 59.49 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -168.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -163.45 148.18 10.97 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.227 1.411 . . . . 0.0 111.59 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -141.31 153.42 45.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.718 1.607 . . . . 0.0 110.659 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -152.18 132.57 13.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.03 0.932 . . . . 0.0 110.73 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.8 tp -149.2 130.93 15.04 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.609 1.563 . . . . 0.0 109.309 -177.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.5 t70 59.08 34.06 23.21 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.727 1.611 . . . . 0.0 112.669 -175.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 66.48 22.97 10.59 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.27 1.828 . . . . 0.0 113.721 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -123.53 134.66 53.83 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.594 1.558 . . . . 0.0 109.828 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.8 m -76.23 118.65 19.17 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 pt -100.21 158.43 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.838 0.855 . . . . 0.0 111.316 -174.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.51 77.37 73.55 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 125.313 1.445 . . . . 0.0 111.182 -171.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -84.6 147.4 10.98 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.747 2.965 . . . . 0.0 111.896 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -158.63 161.51 37.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.852 1.661 . . . . 0.0 111.784 -171.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.7 t -62.93 134.52 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 O-C-N 121.111 -0.993 . . . . 0.0 110.632 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.6 142.03 33.17 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.016 0.926 . . . . 0.0 113.205 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -62.64 136.99 96.39 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.87 0.868 . . . . 0.0 109.865 169.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -67.71 167.99 19.63 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 124.022 3.148 . . . . 0.0 113.693 -169.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -145.29 170.96 15.27 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.948 1.699 . . . . 0.0 112.9 -172.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -135.55 133.34 38.27 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.176 1.79 . . . . 0.0 110.658 177.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -156.27 136.96 13.31 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.101 1.76 . . . . 0.0 110.035 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -147.76 150.3 35.9 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.449 1.5 . . . . 0.0 110.109 -172.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.34 163.92 35.25 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.861 3.041 . . . . 0.0 112.162 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.305 0 C-N-CA 125.96 1.704 . . . . 0.0 112.992 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 O4'-C1'-N19 110.577 2.377 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.051 0 C5'-C4'-C3' 111.141 -2.906 . 0.139 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 100.178 -2.522 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 1 O4'-C1'-N19 114.182 5.982 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.409 1 O4'-C1'-N19 112.985 4.785 . 0.04 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 119.746 -0.168 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -144.75 145.32 31.62 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.695 -1.253 . . . . 0.0 113.294 -170.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.6 mtp -141.13 137.91 33.09 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.52 1.528 . . . . 0.0 112.408 -171.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -81.82 137.31 35.3 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.164 1.785 . . . . 0.0 107.673 167.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.1 mm -120.33 98.83 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.132 0.973 . . . . 0.0 108.875 -175.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.93 165.87 24.53 Favored Glycine 0 N--CA 1.471 1.006 0 C-N-CA 124.283 0.944 . . . . 0.0 113.828 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.32 15.06 78.96 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.533 1.063 . . . . 0.0 115.282 172.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.7 mt -59.79 157.37 12.31 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.977 1.311 . . . . 0.0 112.541 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -71.14 146.12 49.37 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.965 -0.46 . . . . 0.0 109.779 168.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -58.7 -13.96 7.3 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.943 -1.098 . . . . 0.0 113.827 170.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.11 -9.86 44.07 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.863 1.265 . . . . 0.0 113.792 174.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.7 m -69.41 139.93 54.11 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.511 1.05 . . . . 0.0 111.237 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.6 p -118.95 163.3 17.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.191 1.797 . . . . 0.0 110.21 174.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.43 -25.86 65.23 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 177.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.17 -36.97 77.94 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.824 -0.548 . . . . 0.0 110.462 168.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.69 -33.39 84.21 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.426 1.013 . . . . 0.0 112.516 172.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.94 -50.66 71.26 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.668 1.234 . . . . 0.0 111.0 169.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -56.9 -39.77 75.01 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.504 1.047 . . . . 0.0 112.083 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.56 -33.84 71.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.981 0.912 . . . . 0.0 112.872 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -86.46 -40.83 14.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.448 1.099 . . . . 0.0 113.463 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -83.95 -19.14 35.17 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -172.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.61 -10.09 47.79 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.537 1.065 . . . . 0.0 114.301 171.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -70.32 -26.21 63.66 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.718 1.207 . . . . 0.0 112.362 171.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -103.03 -33.65 9.19 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.354 1.461 . . . . 0.0 111.772 -176.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.58 150.21 8.1 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 126.148 1.832 . . . . 0.0 111.137 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.33 145.38 47.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 117.786 0.793 . . . . 0.0 110.709 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 m -100.23 130.93 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.216 1.007 . . . . 0.0 110.506 -172.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -75.08 -28.78 60.47 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.431 1.893 . . . . 0.0 112.079 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -163.88 151.58 12.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.929 1.691 . . . . 0.0 109.611 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.0 p -145.9 143.78 29.78 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.401 1.081 . . . . 0.0 111.288 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.4 mt -144.67 144.69 31.36 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.212 1.405 . . . . 0.0 111.251 -170.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.67 127.91 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.289 1.435 . . . . 0.0 107.223 168.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.3 mmt -88.2 50.22 1.94 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.916 1.286 . . . . 0.0 111.607 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -66.83 149.31 50.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.097 1.359 . . . . 0.0 113.818 -171.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.33 120.57 82.06 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 125.472 1.509 . . . . 0.0 110.28 173.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.18 -14.41 28.67 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.543 2.162 . . . . 0.0 113.668 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -81.82 -32.16 31.38 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.411 1.005 . . . . 0.0 113.191 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 p -126.27 -12.07 6.3 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.73 1.612 . . . . 0.0 114.273 -172.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 67.04 8.65 6.31 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.573 2.349 . . . . 0.0 113.892 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -56.51 133.29 53.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.454 1.101 . . . . 0.0 109.912 169.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 p -58.5 -17.72 23.46 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 172.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.22 7.54 6.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.511 2.325 . . . . 0.0 112.757 -175.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.18 8.53 74.97 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-O 117.981 -1.455 . . . . 0.0 114.937 173.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -159.97 161.31 34.12 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.824 1.812 . . . . 0.0 115.123 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.01 -158.63 9.01 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 125.761 1.648 . . . . 0.0 112.865 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -147.43 149.58 32.98 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.717 1.607 . . . . 0.0 110.76 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.6 t -140.53 133.06 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.262 1.025 . . . . 0.0 110.083 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.2 m -109.05 134.5 51.59 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.009 1.724 . . . . 0.0 107.459 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -101.54 153.92 19.3 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.384 1.073 . . . . 0.0 112.25 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -66.81 -18.93 65.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.98 0.912 . . . . 0.0 113.364 172.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -156.42 154.49 30.55 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.772 1.629 . . . . 0.0 111.206 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -63.4 -24.26 67.76 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.538 1.135 . . . . 0.0 112.664 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.6 -25.31 64.53 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 178.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.93 -39.84 15.85 Favored Glycine 0 C--N 1.341 0.836 0 CA-C-N 118.953 0.797 . . . . 0.0 112.288 171.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.18 -48.97 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.931 0.892 . . . . 0.0 109.669 174.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -52.65 -46.14 67.01 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.887 1.275 . . . . 0.0 112.62 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.53 -36.39 82.58 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.73 -29.55 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.091 0.556 . . . . 0.0 111.115 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.82 -38.14 38.95 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.243 -0.91 . . . . 0.0 112.109 173.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.54 -23.24 62.59 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -84.33 142.57 30.09 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.819 1.248 . . . . 0.0 111.405 177.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 p -79.62 -24.5 41.91 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -169.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -155.74 147.42 23.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.413 1.485 . . . . 0.0 111.903 -174.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -136.0 153.9 51.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.777 1.631 . . . . 0.0 110.843 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -152.6 131.62 12.6 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.277 1.031 . . . . 0.0 110.529 -172.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.2 tp -149.26 126.97 11.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.355 1.462 . . . . 0.0 109.067 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.3 t70 58.21 38.33 26.23 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.793 1.637 . . . . 0.0 112.643 -171.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.6 m 66.69 17.0 10.53 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.079 1.751 . . . . 0.0 113.864 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -115.89 131.75 56.85 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.427 1.891 . . . . 0.0 109.481 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.7 m -66.63 121.87 16.35 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.463 1.105 . . . . 0.0 108.589 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.1 pt -108.08 155.88 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.445 0.698 . . . . 0.0 111.244 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -124.78 82.77 59.9 Favored Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 125.531 1.532 . . . . 0.0 110.359 -177.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -86.41 132.9 3.76 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.768 2.979 . . . . 0.0 110.233 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -153.74 164.05 38.98 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.166 1.386 . . . . 0.0 112.093 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.18 131.09 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 O-C-N 121.273 -0.892 . . . . 0.0 110.844 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.38 136.61 39.51 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.615 0.766 . . . . 0.0 111.258 177.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -55.03 134.71 67.69 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 123.687 0.795 . . . . 0.0 110.903 175.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.26 154.4 69.79 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.703 2.935 . . . . 0.0 112.166 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -110.98 12.54 22.12 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.574 1.15 . . . . 0.0 113.127 -175.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -163.7 144.74 8.95 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.155 2.582 . . . . 0.0 109.881 -172.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -152.77 156.99 40.16 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.475 1.51 . . . . 0.0 111.376 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -144.65 150.42 46.94 Favored Pre-proline 0 CA--C 1.546 0.794 0 C-N-CA 125.897 1.679 . . . . 0.0 109.813 -177.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -72.79 152.3 52.5 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.588 2.858 . . . . 0.0 111.941 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt . . . . . 0 C--O 1.253 1.282 0 C-N-CA 125.861 1.664 . . . . 0.0 111.325 -178.233 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 O4'-C4'-C3' 108.598 2.213 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.21 0 O4'-C1'-N19 111.991 3.791 . 0.599 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.634 0 O5'-C5'-C4' 113.56 2.4 . 0.248 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.132 1 O4'-C1'-N19 114.131 5.931 . 0.015 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.206 0 O4'-C1'-N19 111.03 2.83 . 0.08 1o . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 111.462 0.171 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.7 tttt 92.3 136.63 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 129.785 3.234 . . . . 0.0 114.08 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.6 mtp -142.44 139.09 31.49 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 126.331 1.852 . . . . 0.0 111.985 -171.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -82.23 138.55 34.61 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.15 1.78 . . . . 0.0 108.276 167.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mm -121.52 100.67 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.174 0.99 . . . . 0.0 109.202 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.59 167.38 28.5 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 124.062 0.839 . . . . 0.0 113.222 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.96 18.94 79.34 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.13 0.871 . . . . 0.0 115.123 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.33 165.06 14.79 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.863 1.265 . . . . 0.0 112.259 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.5 t -82.6 153.12 25.62 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.471 0.709 . . . . 0.0 111.088 169.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -65.95 -10.81 42.53 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.971 -1.081 . . . . 0.0 112.342 168.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -95.92 -7.32 36.96 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.045 1.338 . . . . 0.0 113.047 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.3 m -68.43 142.7 55.3 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.499 1.045 . . . . 0.0 110.198 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.3 p -121.97 161.68 22.48 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.64 1.576 . . . . 0.0 109.637 173.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.47 -26.2 65.36 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.45 -35.62 75.83 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.872 -0.518 . . . . 0.0 110.598 168.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.57 -33.82 82.3 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.494 1.045 . . . . 0.0 112.429 172.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.77 -49.98 74.22 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 118.566 1.183 . . . . 0.0 110.739 169.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -57.12 -38.8 73.97 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.25 0.932 . . . . 0.0 112.256 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -60.1 -36.68 77.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.719 0.808 . . . . 0.0 112.859 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -84.15 -39.68 19.13 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.49 1.116 . . . . 0.0 113.409 177.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -86.47 -22.28 26.55 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.76 -12.27 52.77 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.071 1.32 . . . . 0.0 113.917 172.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -75.22 -20.03 59.47 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.811 1.245 . . . . 0.0 112.405 173.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -102.49 -39.31 7.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.527 1.531 . . . . 0.0 111.192 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.62 152.45 11.92 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.48 1.514 . . . . 0.0 112.029 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.87 145.81 55.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 117.777 0.788 . . . . 0.0 111.415 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.9 m -102.38 133.53 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.49 1.116 . . . . 0.0 111.421 -171.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.46 -24.25 34.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.034 2.133 . . . . 0.0 112.493 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -164.05 147.32 9.61 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.064 2.146 . . . . 0.0 108.386 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 p -149.59 142.45 24.73 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.848 1.259 . . . . 0.0 110.206 177.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.1 mt -146.53 143.46 28.92 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.289 1.436 . . . . 0.0 111.524 -171.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.3 t -135.74 129.58 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.379 1.471 . . . . 0.0 107.123 167.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.8 mmt -85.86 56.72 4.1 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.499 1.119 . . . . 0.0 112.866 -169.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -72.55 124.53 25.42 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.255 1.022 . . . . 0.0 112.691 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -70.47 131.71 88.05 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.263 1.425 . . . . 0.0 109.576 169.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -79.6 -12.69 13.68 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.117 1.878 . . . . 0.0 114.309 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -93.81 -40.87 9.95 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.686 1.13 . . . . 0.0 111.555 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.3 p -106.3 -9.68 16.7 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.073 0.949 . . . . 0.0 113.462 -174.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt 68.73 -0.63 2.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.699 2.4 . . . . 0.0 113.381 174.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -74.19 135.72 42.79 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.787 1.235 . . . . 0.0 110.688 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 97.2 p -88.02 -1.62 58.1 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.649 1.58 . . . . 0.0 113.644 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 57.74 11.99 1.5 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.815 1.646 . . . . 0.0 112.2 -168.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.99 27.07 73.52 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-O 118.22 -1.322 . . . . 0.0 114.057 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -153.96 162.38 41.26 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.754 1.777 . . . . 0.0 114.939 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.28 -159.2 9.45 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.901 1.715 . . . . 0.0 113.065 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -147.16 150.9 35.86 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.649 1.58 . . . . 0.0 111.037 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.5 t -142.87 133.64 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.653 1.181 . . . . 0.0 110.125 176.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.4 m -110.22 137.85 47.39 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.684 1.593 . . . . 0.0 108.182 170.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.53 150.31 22.81 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.112 0.965 . . . . 0.0 111.151 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 55.6 mtp -70.91 -6.26 37.06 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -155.78 156.52 34.94 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.677 2.391 . . . . 0.0 110.859 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -73.16 -27.77 61.85 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.62 -0.675 . . . . 0.0 112.226 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.12 68.97 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.57 -32.56 78.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 121.195 -0.94 . . . . 0.0 113.004 173.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.34 -47.61 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 118.127 0.963 . . . . 0.0 109.464 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.22 -43.06 74.13 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.891 0.876 . . . . 0.0 112.223 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -65.8 -35.29 80.27 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.6 t -71.28 -40.37 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 122.845 0.458 . . . . 0.0 110.718 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 mt -69.82 -35.49 74.85 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.264 0.626 . . . . 0.0 112.293 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.94 -11.22 60.45 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -105.29 139.99 39.1 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.381 1.472 . . . . 0.0 110.201 176.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.9 t -91.81 -5.6 53.18 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -168.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -162.06 145.39 11.92 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.982 1.313 . . . . 0.0 111.542 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -144.51 156.41 44.15 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.749 1.62 . . . . 0.0 110.637 -177.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -154.58 133.13 12.03 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.936 0.894 . . . . 0.0 110.887 -173.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.0 tp -149.75 129.39 13.16 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.723 1.609 . . . . 0.0 108.983 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.6 t70 57.71 34.8 24.91 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.658 1.583 . . . . 0.0 112.66 -170.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 m 65.92 17.91 10.94 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.882 1.673 . . . . 0.0 113.7 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -115.75 130.94 57.04 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.186 1.795 . . . . 0.0 109.102 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.8 m -73.72 117.08 15.07 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.453 1.101 . . . . 0.0 108.749 -177.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.3 pt -99.3 153.46 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.585 0.754 . . . . 0.0 110.927 -176.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -129.95 76.63 77.91 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.303 1.441 . . . . 0.0 111.094 -171.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -84.79 146.89 10.61 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.709 2.939 . . . . 0.0 112.013 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -159.37 162.42 35.84 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.824 1.65 . . . . 0.0 111.94 -170.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.64 134.99 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 O-C-N 121.186 -0.946 . . . . 0.0 110.913 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.4 133.34 36.56 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.886 0.875 . . . . 0.0 113.193 -175.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -63.87 139.56 97.67 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 124.445 1.098 . . . . 0.0 110.391 169.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.41 158.19 56.84 Favored 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.64 2.893 . . . . 0.0 112.982 -173.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -138.22 164.64 28.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.339 2.255 . . . . 0.0 110.482 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -127.62 119.33 25.67 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.189 1.396 . . . . 0.0 110.729 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -164.55 165.61 21.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.173 2.189 . . . . 0.0 110.602 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -143.91 151.92 54.0 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.256 1.422 . . . . 0.0 110.589 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -79.41 64.73 8.88 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 124.274 3.316 . . . . 0.0 110.023 172.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.602 1.561 . . . . 0.0 111.838 -169.695 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 0 O4'-C4'-C3' 108.843 2.388 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.167 0 O4'-C1'-N19 111.189 2.989 . 0.093 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 100.269 -2.431 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.342 1 O4'-C1'-N19 113.944 5.744 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 1 O4'-C1'-N19 112.508 4.308 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 tttt . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 81.7 mtp -143.05 137.55 29.32 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.091 1.756 . . . . 0.0 112.087 -169.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -80.05 140.17 36.62 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.901 1.68 . . . . 0.0 108.014 167.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 mm -124.02 101.14 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.44 1.096 . . . . 0.0 109.261 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.35 172.49 34.78 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 124.192 0.901 . . . . 0.0 113.201 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.87 17.96 75.72 Favored Glycine 0 CA--C 1.536 1.39 0 N-CA-C 115.378 0.911 . . . . 0.0 115.378 170.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.45 167.0 11.4 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.966 1.306 . . . . 0.0 112.205 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -82.85 153.51 25.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.408 0.683 . . . . 0.0 111.311 170.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -62.71 -12.94 27.01 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.885 -1.134 . . . . 0.0 112.693 168.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -95.12 -7.49 39.23 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.162 1.385 . . . . 0.0 113.202 174.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.6 m -71.4 138.13 48.89 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.42 1.009 . . . . 0.0 110.803 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.6 p -119.31 164.32 15.84 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.17 1.788 . . . . 0.0 109.754 172.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.3 -23.95 64.8 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.22 -35.55 71.55 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.93 -0.481 . . . . 0.0 110.566 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.71 -34.39 83.19 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.391 0.995 . . . . 0.0 112.223 172.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.35 -51.06 70.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.462 1.131 . . . . 0.0 110.688 169.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.5 ttt85 -56.44 -38.29 71.42 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.127 0.876 . . . . 0.0 112.314 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.91 -35.16 75.97 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.079 0.952 . . . . 0.0 113.062 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -87.19 -39.45 15.47 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.529 1.131 . . . . 0.0 113.304 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -83.32 -15.36 50.34 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 -174.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.92 -10.9 41.64 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.705 1.145 . . . . 0.0 114.443 171.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -73.04 -25.35 60.9 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.959 1.303 . . . . 0.0 112.605 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -102.39 -24.11 13.88 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.08 1.352 . . . . 0.0 112.404 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 168.36 167.78 29.5 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 125.646 1.593 . . . . 0.0 112.453 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -68.26 127.47 33.06 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 122.176 -0.603 . . . . 0.0 109.963 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 m -85.24 133.65 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.893 0.854 . . . . 0.0 110.768 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -83.44 -24.64 31.77 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.982 2.113 . . . . 0.0 112.757 176.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -164.13 148.43 9.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.407 1.883 . . . . 0.0 109.073 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.0 p -145.75 145.5 30.86 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.111 1.364 . . . . 0.0 110.257 171.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.8 mt -148.28 147.31 29.19 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.511 1.524 . . . . 0.0 110.944 -174.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.2 t -132.53 126.17 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.971 1.308 . . . . 0.0 107.625 168.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.4 mmt -85.98 52.85 2.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.309 1.444 . . . . 0.0 112.031 -170.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -73.06 148.71 43.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.481 1.513 . . . . 0.0 113.582 -175.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -74.68 129.65 83.18 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 125.004 1.322 . . . . 0.0 109.728 170.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.9 -10.91 12.66 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.482 2.121 . . . . 0.0 114.284 -173.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -91.51 -45.28 8.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.488 1.04 . . . . 0.0 110.776 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.0 p -102.57 -11.65 18.34 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.146 0.979 . . . . 0.0 113.194 -172.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 65.73 3.31 2.43 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.977 2.511 . . . . 0.0 113.572 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -56.78 129.01 39.46 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.532 1.533 . . . . 0.0 110.194 171.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.2 p -72.03 -6.32 41.43 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.844 1.258 . . . . 0.0 114.26 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 61.33 4.79 0.99 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.138 1.775 . . . . 0.0 112.414 -167.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.16 19.13 79.84 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 118.14 -1.367 . . . . 0.0 114.138 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -156.79 160.86 39.64 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.97 1.885 . . . . 0.0 115.061 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.71 -157.04 8.28 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.87 1.7 . . . . 0.0 113.261 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -146.06 150.54 36.16 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.734 1.613 . . . . 0.0 111.096 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.6 t -143.34 139.9 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.859 1.264 . . . . 0.0 110.057 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.3 m -119.76 139.7 51.89 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.987 1.715 . . . . 0.0 108.607 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -101.06 153.57 19.45 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.375 1.07 . . . . 0.0 111.849 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.6 mmt -65.63 -13.77 59.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.188 0.995 . . . . 0.0 113.669 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -154.53 154.26 32.81 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.088 1.755 . . . . 0.0 110.93 173.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -59.6 -25.99 65.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.622 1.169 . . . . 0.0 112.957 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -23.82 59.3 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.58 -33.04 28.91 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-N 119.082 0.855 . . . . 0.0 112.954 172.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.14 -47.39 90.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 117.848 0.824 . . . . 0.0 109.162 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -51.66 -45.52 63.42 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.488 1.115 . . . . 0.0 112.72 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -65.49 -39.07 91.48 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.99 -29.39 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.094 0.558 . . . . 0.0 111.12 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 mt -78.77 -38.57 38.27 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.297 -0.877 . . . . 0.0 112.149 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.2 -25.1 63.26 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -83.06 139.99 32.93 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.449 1.1 . . . . 0.0 111.049 176.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -83.67 -14.62 51.39 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 -169.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -159.02 148.08 18.57 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.04 1.336 . . . . 0.0 111.79 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -138.35 154.27 48.96 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.7 1.6 . . . . 0.0 110.701 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -153.91 132.44 12.11 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.289 1.036 . . . . 0.0 110.621 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -148.68 127.44 12.55 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.362 1.465 . . . . 0.0 108.98 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 57.92 38.0 26.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.883 1.673 . . . . 0.0 112.821 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.5 m 66.97 17.16 10.49 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.174 1.79 . . . . 0.0 114.173 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -117.14 131.66 56.84 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.833 1.653 . . . . 0.0 109.652 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -67.69 117.08 9.13 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.757 1.223 . . . . 0.0 108.712 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 pt -98.06 157.38 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-O 121.341 0.591 . . . . 0.0 111.114 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -129.14 78.84 75.47 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.475 1.51 . . . . 0.0 110.921 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -87.83 142.55 5.74 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.692 2.928 . . . . 0.0 111.774 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -158.27 164.22 36.65 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.758 1.623 . . . . 0.0 111.936 -170.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.55 134.21 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 O-C-N 121.1 -1.0 . . . . 0.0 110.622 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 123.973 0.909 . . . . 0.0 112.899 -177.121 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.3 tttt . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.9 mtp -138.76 136.12 35.39 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 125.676 1.59 . . . . 0.0 111.929 -172.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -81.3 138.01 35.74 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.836 1.654 . . . . 0.0 107.408 167.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.9 mm -119.41 99.55 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.108 0.963 . . . . 0.0 108.65 -175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.41 169.66 29.18 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.207 0.908 . . . . 0.0 113.237 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.45 16.66 79.89 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.009 0.814 . . . . 0.0 114.974 172.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.75 164.83 16.27 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.69 1.196 . . . . 0.0 112.653 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 t -80.1 149.6 30.56 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.623 0.769 . . . . 0.0 109.698 168.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -60.23 -13.67 13.7 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.857 -1.152 . . . . 0.0 113.578 169.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -101.51 0.46 36.63 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.003 1.321 . . . . 0.0 113.336 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.9 m -69.41 138.28 53.46 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.615 1.098 . . . . 0.0 110.045 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.1 p -117.85 162.33 18.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.896 1.678 . . . . 0.0 110.176 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.05 -24.81 64.22 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.38 -36.32 76.69 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.0 -0.437 . . . . 0.0 110.289 168.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.05 -34.92 82.77 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.477 1.037 . . . . 0.0 112.436 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.48 -51.71 68.3 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.545 1.173 . . . . 0.0 110.472 169.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -56.47 -38.77 72.16 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.003 0.82 . . . . 0.0 112.372 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.29 -35.39 77.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.056 0.942 . . . . 0.0 112.757 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -85.22 -39.62 17.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.412 1.085 . . . . 0.0 113.256 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -84.14 -16.9 41.89 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -173.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.29 -10.69 49.26 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.543 1.068 . . . . 0.0 114.375 170.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.18 -26.05 61.92 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.673 1.189 . . . . 0.0 112.491 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -103.43 -29.99 10.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.789 1.236 . . . . 0.0 112.654 -173.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.35 162.93 28.48 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 125.76 1.648 . . . . 0.0 112.143 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -67.45 128.33 36.03 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 117.319 0.56 . . . . 0.0 110.06 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 m -86.32 136.23 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 121.473 0.654 . . . . 0.0 110.84 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -84.38 -25.68 28.93 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.191 1.796 . . . . 0.0 112.603 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -166.29 146.02 6.04 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.836 2.055 . . . . 0.0 108.6 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -139.59 147.51 41.23 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.983 1.313 . . . . 0.0 110.299 171.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mt -149.74 141.93 24.08 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.052 1.341 . . . . 0.0 111.103 -172.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -127.55 125.67 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 167.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.5 mmm -91.77 54.83 2.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.191 0.996 . . . . 0.0 111.673 -168.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -74.09 157.1 36.65 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 -169.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -70.0 125.72 92.11 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 124.702 1.201 . . . . 0.0 109.071 168.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.76 -15.93 16.72 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 121.938 1.758 . . . . 0.0 113.467 -177.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.43 -48.24 12.16 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.802 0.841 . . . . 0.0 111.62 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.9 p -109.75 -8.08 14.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.524 1.53 . . . . 0.0 113.583 -169.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 67.89 2.37 3.07 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.02 2.528 . . . . 0.0 113.728 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -55.34 128.98 36.71 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.428 1.491 . . . . 0.0 110.489 172.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.9 p -63.55 -10.03 16.13 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 62.29 9.31 3.19 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.251 1.82 . . . . 0.0 112.461 -169.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.29 15.63 81.32 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 117.68 -1.622 . . . . 0.0 114.353 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -153.99 156.54 37.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.992 1.896 . . . . 0.0 115.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.14 -159.76 9.15 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.123 1.821 . . . . 0.0 112.931 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -149.12 146.29 27.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.169 1.788 . . . . 0.0 110.61 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.0 t -142.24 132.54 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.291 1.036 . . . . 0.0 110.381 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 m -110.18 142.44 41.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.751 2.02 . . . . 0.0 108.175 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -110.5 153.8 24.56 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.297 1.039 . . . . 0.0 111.984 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.9 mmt -68.02 -15.92 63.81 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.264 1.025 . . . . 0.0 113.524 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -157.52 156.23 31.67 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.099 1.76 . . . . 0.0 111.045 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -60.28 -31.06 69.88 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.507 1.123 . . . . 0.0 112.458 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.63 -19.42 57.98 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -175.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.97 -26.38 24.4 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.579 1.082 . . . . 0.0 113.598 170.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.93 -45.85 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.463 1.131 . . . . 0.0 108.941 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -42.1 80.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.692 1.197 . . . . 0.0 112.563 -177.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -63.67 -38.86 92.73 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -70.73 -30.52 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.226 0.611 . . . . 0.0 111.181 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.53 -38.6 48.43 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.499 -0.75 . . . . 0.0 111.981 173.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.59 -22.98 62.5 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -87.47 136.7 32.84 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.732 1.213 . . . . 0.0 110.78 175.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m -83.92 -9.77 58.47 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 -169.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -162.55 146.15 11.49 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.004 1.322 . . . . 0.0 111.712 -172.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -143.62 154.48 43.6 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.659 1.584 . . . . 0.0 110.722 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -152.93 132.99 13.4 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.119 0.968 . . . . 0.0 110.748 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.7 tp -150.74 132.31 14.81 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.644 1.578 . . . . 0.0 109.309 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 t70 57.15 34.8 25.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.611 1.564 . . . . 0.0 112.604 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 m 66.51 19.91 10.87 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.073 1.749 . . . . 0.0 113.725 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -120.11 135.27 55.01 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.715 1.606 . . . . 0.0 109.737 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.0 m -75.04 118.48 18.04 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.488 1.115 . . . . 0.0 108.62 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.8 pt -102.99 158.13 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.89 0.876 . . . . 0.0 111.553 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -127.69 83.48 65.96 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 125.613 1.565 . . . . 0.0 110.243 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -87.55 134.35 3.35 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.786 2.991 . . . . 0.0 110.449 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -154.42 164.49 38.56 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.284 1.434 . . . . 0.0 112.153 -169.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.89 132.51 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 121.188 -0.945 . . . . 0.0 110.999 -174.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 123.967 0.907 . . . . 0.0 112.641 -178.434 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.7 tttt . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.7 mtp -139.23 136.73 35.28 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.711 1.604 . . . . 0.0 112.152 -173.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -80.78 136.44 36.13 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.806 1.643 . . . . 0.0 107.438 167.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mm -118.44 99.22 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.02 172.99 37.4 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.111 0.862 . . . . 0.0 112.777 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.64 15.62 73.48 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.947 0.784 . . . . 0.0 114.842 172.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.58 163.34 16.37 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.418 1.087 . . . . 0.0 111.953 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.3 t -81.98 153.0 26.45 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.893 -0.504 . . . . 0.0 111.267 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.64 -9.64 14.83 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.128 -0.983 . . . . 0.0 113.014 168.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -99.45 -5.43 29.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.278 1.431 . . . . 0.0 113.489 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.4 m -71.57 142.66 50.04 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.59 1.087 . . . . 0.0 110.964 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.5 p -123.17 162.75 21.92 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.209 1.804 . . . . 0.0 110.291 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.48 -28.96 69.58 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.89 -36.46 78.09 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.217 0.462 . . . . 0.0 110.846 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.65 -34.04 86.25 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 118.993 -0.893 . . . . 0.0 112.366 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.02 -51.86 66.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.6 1.2 . . . . 0.0 110.691 169.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -56.53 -38.27 71.63 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.141 0.882 . . . . 0.0 112.348 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.51 -34.45 74.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.136 0.975 . . . . 0.0 112.854 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -88.78 -39.05 14.2 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.51 1.124 . . . . 0.0 113.295 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -84.25 -17.23 40.4 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -173.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.01 -9.94 49.36 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.578 1.085 . . . . 0.0 114.385 170.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -71.4 -25.98 62.58 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.576 1.151 . . . . 0.0 112.367 171.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -103.58 -37.45 7.54 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.009 1.323 . . . . 0.0 111.708 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.13 159.48 27.77 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.118 1.342 . . . . 0.0 112.386 174.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.76 133.08 52.86 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.905 0.482 . . . . 0.0 110.027 175.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.7 m -92.61 134.78 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.835 0.826 . . . . 0.0 111.273 -175.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -85.1 -25.22 27.66 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.041 2.136 . . . . 0.0 112.653 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -163.26 146.03 10.26 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.97 2.108 . . . . 0.0 108.294 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 p -148.16 135.03 20.08 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.261 1.425 . . . . 0.0 109.553 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.87 152.1 40.72 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.28 1.432 . . . . 0.0 111.124 -170.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -136.8 127.99 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.654 1.582 . . . . 0.0 107.1 169.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.3 mmt -90.54 49.29 1.65 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.375 1.07 . . . . 0.0 112.168 -169.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -67.32 146.13 54.41 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -74.59 132.17 78.7 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.634 1.574 . . . . 0.0 110.174 173.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.59 -12.12 12.59 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.473 2.116 . . . . 0.0 114.001 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.6 mt -90.9 -39.42 12.3 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.461 1.028 . . . . 0.0 111.567 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -109.87 -12.84 14.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.451 1.501 . . . . 0.0 113.344 -173.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 65.84 2.32 2.13 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.776 2.431 . . . . 0.0 113.599 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -57.56 130.76 47.8 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.259 1.824 . . . . 0.0 110.062 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 85.9 p -69.77 -6.1 29.88 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 62.45 7.01 2.15 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.157 1.783 . . . . 0.0 112.277 -168.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.16 14.65 82.37 Favored Glycine 0 C--N 1.341 0.851 0 C-N-CA 125.175 1.369 . . . . 0.0 114.596 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -156.27 161.07 40.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.756 1.778 . . . . 0.0 115.411 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.75 -157.01 8.05 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 126.054 1.787 . . . . 0.0 112.709 174.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -146.63 149.65 33.92 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.072 1.349 . . . . 0.0 111.159 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.9 t -141.47 133.09 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.287 1.035 . . . . 0.0 110.279 172.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.3 m -110.87 141.33 44.4 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.433 1.893 . . . . 0.0 107.933 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -108.81 153.58 23.3 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.405 1.082 . . . . 0.0 111.76 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.2 mmt -67.59 -16.23 64.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.202 1.001 . . . . 0.0 113.473 173.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -156.61 156.0 32.78 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.998 1.719 . . . . 0.0 111.14 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -62.01 -24.27 66.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.753 1.221 . . . . 0.0 113.061 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.81 -24.94 62.65 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.75 -38.35 16.76 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-N 119.188 0.904 . . . . 0.0 112.527 172.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.66 -48.63 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.897 0.879 . . . . 0.0 109.502 174.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.77 -46.2 67.47 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.682 1.193 . . . . 0.0 112.662 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -66.14 -36.66 83.71 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.04 -32.24 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.009 0.524 . . . . 0.0 111.041 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.7 mt -76.5 -37.82 56.21 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.446 -0.784 . . . . 0.0 112.081 174.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.35 -13.94 62.36 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -100.51 133.7 44.57 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.247 1.419 . . . . 0.0 110.423 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.8 m -88.14 -3.87 58.82 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -169.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.1 tpt85 -158.54 135.98 10.14 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.399 1.48 . . . . 0.0 110.925 -169.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -140.61 160.97 38.85 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.057 1.343 . . . . 0.0 110.877 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -159.49 135.17 8.54 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.936 0.894 . . . . 0.0 111.616 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -152.56 132.03 12.97 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.742 1.617 . . . . 0.0 108.588 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.9 t70 59.34 30.22 19.9 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.284 1.433 . . . . 0.0 112.296 -169.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.9 m 64.56 18.07 11.19 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.112 1.765 . . . . 0.0 113.358 -175.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -114.42 136.45 52.98 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.013 1.725 . . . . 0.0 109.821 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.6 m -77.36 109.62 11.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.054 0.941 . . . . 0.0 109.391 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.4 pt -93.81 157.52 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 121.326 0.584 . . . . 0.0 111.552 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -134.29 81.24 50.36 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 125.58 1.552 . . . . 0.0 110.525 -172.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -87.38 143.67 6.54 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.971 3.114 . . . . 0.0 111.722 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -157.65 162.15 38.65 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.57 1.548 . . . . 0.0 112.222 -170.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.01 133.57 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 121.336 -0.853 . . . . 0.0 110.657 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.676 0 C-N-CA 123.765 0.826 . . . . 0.0 111.876 179.107 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.8 tttt . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.8 mtp -142.69 138.11 30.35 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 126.291 1.837 . . . . 0.0 111.802 -171.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -81.3 138.42 35.71 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.709 1.603 . . . . 0.0 107.158 167.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 mm -118.13 105.04 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.163 0.985 . . . . 0.0 108.561 -176.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.61 166.45 21.69 Favored Glycine 0 N--CA 1.473 1.116 0 C-N-CA 124.301 0.953 . . . . 0.0 113.15 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.42 16.06 80.09 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.371 0.986 . . . . 0.0 114.951 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.32 166.1 8.61 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.441 1.121 . . . . 0.0 112.342 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -83.04 151.48 25.79 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.247 0.619 . . . . 0.0 111.005 171.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -65.3 -7.06 11.55 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 120.886 -1.134 . . . . 0.0 114.037 173.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -116.7 9.06 13.93 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.755 1.622 . . . . 0.0 113.396 173.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.0 m -67.96 140.67 56.43 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.314 0.961 . . . . 0.0 109.608 171.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.2 p -116.8 159.97 21.53 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.609 1.564 . . . . 0.0 110.281 175.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -68.18 -25.14 65.09 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.06 -36.59 75.09 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.937 -0.477 . . . . 0.0 110.549 168.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.57 -34.06 86.45 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.564 1.078 . . . . 0.0 112.376 172.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.96 -51.24 70.12 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 118.407 1.104 . . . . 0.0 111.005 169.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.6 -39.92 74.41 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.213 0.915 . . . . 0.0 112.134 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.38 -34.0 71.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.089 0.956 . . . . 0.0 112.954 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.71 -41.18 13.53 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.284 1.034 . . . . 0.0 113.363 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -81.47 -18.72 44.25 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -173.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.94 -10.81 48.22 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.654 1.121 . . . . 0.0 114.458 171.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.85 -26.9 63.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.6 1.16 . . . . 0.0 112.426 171.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -100.25 -35.61 9.57 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.38 1.472 . . . . 0.0 111.36 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.98 153.7 11.53 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 126.226 1.87 . . . . 0.0 111.24 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.86 144.85 54.26 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 117.98 0.89 . . . . 0.0 110.743 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 m -99.68 132.52 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 124.171 0.988 . . . . 0.0 110.888 -172.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -80.62 -23.79 39.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.526 1.93 . . . . 0.0 112.396 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -165.15 146.04 7.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.05 2.14 . . . . 0.0 108.481 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.98 143.6 28.55 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.742 1.217 . . . . 0.0 110.215 173.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.6 mt -148.63 145.04 27.58 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.046 1.338 . . . . 0.0 111.433 -171.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.88 127.41 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.034 1.334 . . . . 0.0 107.631 168.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.7 mmt -88.1 43.62 1.14 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.125 1.37 . . . . 0.0 112.518 -170.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -69.52 142.96 53.56 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -82.61 133.64 49.16 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 124.825 1.25 . . . . 0.0 111.337 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -73.37 -15.4 25.11 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.948 2.432 . . . . 0.0 113.456 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.24 -30.98 58.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.553 1.141 . . . . 0.0 113.555 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.7 p -136.79 -6.24 1.92 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.674 1.59 . . . . 0.0 114.174 -173.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 64.38 7.21 3.46 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.586 2.354 . . . . 0.0 113.72 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -68.93 133.57 48.38 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.851 1.26 . . . . 0.0 110.555 176.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.7 p -77.2 -9.16 58.6 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.348 1.459 . . . . 0.0 114.082 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 60.24 10.11 2.21 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.764 1.626 . . . . 0.0 112.242 -167.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.49 23.18 76.09 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-O 117.562 -1.688 . . . . 0.0 114.434 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -149.96 157.67 43.4 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.338 2.069 . . . . 0.0 116.343 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.4 -160.13 9.96 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 126.483 1.992 . . . . 0.0 112.665 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -146.94 149.14 32.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.586 1.555 . . . . 0.0 111.145 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.6 t -143.14 135.91 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.536 1.134 . . . . 0.0 110.326 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.9 m -112.84 139.53 48.4 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.074 1.75 . . . . 0.0 108.201 171.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -103.48 149.86 24.44 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.284 1.034 . . . . 0.0 111.175 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.6 mtp -69.68 -10.62 59.0 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -152.89 152.47 31.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.176 1.791 . . . . 0.0 110.766 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -60.63 -25.98 66.7 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.717 1.207 . . . . 0.0 112.781 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.23 -24.22 58.51 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.33 -35.51 26.32 Favored Glycine 0 N--CA 1.469 0.871 0 CA-C-N 119.062 0.847 . . . . 0.0 112.7 172.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.71 -48.02 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 117.89 0.845 . . . . 0.0 109.31 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.8 -44.98 63.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.338 1.055 . . . . 0.0 112.695 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -67.31 -37.61 83.64 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.61 -30.5 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.064 0.545 . . . . 0.0 111.012 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -77.78 -38.63 46.25 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.437 -0.789 . . . . 0.0 112.087 173.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.22 -19.51 63.15 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -94.11 135.81 35.07 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.009 1.324 . . . . 0.0 110.661 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m -83.19 -9.76 58.99 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -169.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -162.77 146.36 11.22 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.021 1.328 . . . . 0.0 111.618 -173.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -143.16 156.77 44.85 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.701 1.6 . . . . 0.0 110.774 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -153.43 132.57 12.63 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.312 -0.868 . . . . 0.0 111.229 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.9 tp -149.89 132.34 15.67 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.036 1.734 . . . . 0.0 108.804 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.5 t70 59.38 30.11 19.76 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.267 1.427 . . . . 0.0 112.498 -171.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m 65.14 17.29 10.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.242 1.817 . . . . 0.0 113.656 -174.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -112.86 136.1 52.88 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.795 1.638 . . . . 0.0 109.413 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.3 m -79.37 115.25 18.9 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.897 0.879 . . . . 0.0 109.124 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.1 pt -101.72 148.33 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.61 0.764 . . . . 0.0 111.247 -175.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -129.09 71.53 81.98 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 125.51 1.524 . . . . 0.0 111.286 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.04 149.27 28.53 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 124.113 3.208 . . . . 0.0 112.227 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -159.53 162.4 35.44 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.684 1.594 . . . . 0.0 112.108 -170.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.85 135.45 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 123.993 0.917 . . . . 0.0 110.889 -176.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -175.069 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.9 tttt . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 81.8 mtp -143.31 139.11 29.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.309 1.844 . . . . 0.0 111.904 -171.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -84.07 138.51 33.02 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.885 1.674 . . . . 0.0 107.525 167.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.8 mm -119.61 106.04 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.124 0.97 . . . . 0.0 108.948 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.8 166.54 20.43 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.206 0.908 . . . . 0.0 113.423 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.78 15.19 80.9 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.388 0.994 . . . . 0.0 115.066 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.58 162.47 8.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.849 1.26 . . . . 0.0 112.369 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -77.41 147.88 35.79 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.791 -0.568 . . . . 0.0 109.874 168.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -58.77 -17.96 27.8 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -106.63 6.93 30.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.079 1.352 . . . . 0.0 113.744 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.3 m -65.05 133.12 50.95 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.52 1.054 . . . . 0.0 109.416 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -108.7 161.86 14.7 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.462 1.505 . . . . 0.0 110.288 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.01 -22.86 64.04 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.26 -37.0 71.94 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.999 -0.438 . . . . 0.0 110.332 167.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.62 -33.33 84.14 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.738 1.161 . . . . 0.0 112.524 173.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.21 -51.23 69.86 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.418 1.109 . . . . 0.0 111.217 169.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -57.19 -39.39 75.27 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.419 1.009 . . . . 0.0 112.05 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.64 -34.78 73.24 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.92 0.888 . . . . 0.0 113.064 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -86.57 -40.65 14.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.383 1.073 . . . . 0.0 113.388 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -82.41 -17.59 44.91 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -173.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.1 -11.17 44.21 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.653 1.12 . . . . 0.0 114.429 171.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -71.41 -26.24 62.67 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.819 1.248 . . . . 0.0 112.44 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -100.93 -26.03 13.88 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.387 1.475 . . . . 0.0 111.874 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 166.49 158.95 11.56 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 126.32 1.914 . . . . 0.0 111.629 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.54 145.81 55.56 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 117.893 0.846 . . . . 0.0 110.707 175.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.5 m -104.86 133.8 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 124.676 1.191 . . . . 0.0 111.132 -170.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -79.76 -24.72 41.33 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.008 2.123 . . . . 0.0 112.33 176.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -163.89 145.68 9.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.429 1.892 . . . . 0.0 109.065 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.3 m -143.19 137.36 28.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.919 1.687 . . . . 0.0 108.961 172.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.4 mt -145.63 145.83 31.1 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.058 1.343 . . . . 0.0 111.599 -171.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.68 128.96 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.006 1.323 . . . . 0.0 108.158 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.8 mmt -93.56 47.33 1.23 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.294 1.437 . . . . 0.0 111.68 -170.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -63.03 160.11 15.75 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.987 1.315 . . . . 0.0 114.54 -171.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -76.93 129.9 77.36 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 125.458 1.503 . . . . 0.0 109.953 169.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.76 -12.47 13.55 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.48 2.12 . . . . 0.0 114.268 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -87.96 -44.02 11.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.517 1.053 . . . . 0.0 111.064 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.5 p -106.05 -12.78 15.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.204 1.402 . . . . 0.0 113.265 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 66.16 3.6 2.76 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.906 2.483 . . . . 0.0 113.418 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -57.55 127.98 34.74 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.409 1.884 . . . . 0.0 110.253 172.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.1 p -60.2 -12.1 7.87 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 62.17 10.94 4.05 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.424 1.89 . . . . 0.0 112.477 -169.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.54 14.91 81.62 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 117.445 -1.753 . . . . 0.0 114.563 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -153.27 157.0 39.5 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.509 2.154 . . . . 0.0 116.443 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.31 -161.54 10.66 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.348 1.927 . . . . 0.0 113.117 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -146.56 148.86 32.58 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.824 1.65 . . . . 0.0 110.758 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.4 t -143.83 138.47 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.609 1.163 . . . . 0.0 110.132 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.1 m -121.73 135.32 54.94 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.572 1.549 . . . . 0.0 108.497 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -95.06 154.76 17.03 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.022 0.929 . . . . 0.0 112.111 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -65.42 -16.5 63.69 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -154.75 154.57 33.04 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.211 1.804 . . . . 0.0 111.083 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -58.64 -26.7 64.01 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.768 1.227 . . . . 0.0 113.029 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.3 -23.69 57.19 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.54 -33.43 28.04 Favored Glycine 0 N--CA 1.47 0.908 0 CA-C-N 119.076 0.853 . . . . 0.0 112.904 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.83 -47.58 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.937 0.869 . . . . 0.0 109.13 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -51.87 -45.02 63.93 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.448 1.099 . . . . 0.0 112.641 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.53 -38.62 87.56 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.48 -29.38 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.975 0.51 . . . . 0.0 110.966 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.3 mt -78.78 -38.81 37.56 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.282 -0.886 . . . . 0.0 112.075 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.54 -24.05 63.67 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -87.71 135.26 33.45 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.673 1.189 . . . . 0.0 110.627 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -81.14 -11.44 59.46 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 -169.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -163.01 147.61 11.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.107 1.363 . . . . 0.0 111.696 -173.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -142.02 155.62 45.42 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.833 1.653 . . . . 0.0 110.718 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -153.77 132.38 12.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.078 0.951 . . . . 0.0 110.731 -174.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.4 tp -148.67 127.83 12.88 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.694 1.598 . . . . 0.0 109.036 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.0 t70 59.11 36.98 24.29 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.645 1.578 . . . . 0.0 112.562 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 m 65.78 19.54 11.37 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.898 1.679 . . . . 0.0 113.588 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -120.17 129.47 54.14 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.405 1.882 . . . . 0.0 109.126 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.5 m -73.98 120.0 18.97 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.506 1.122 . . . . 0.0 108.73 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -103.5 152.61 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.78 0.832 . . . . 0.0 111.234 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -128.19 75.28 78.95 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.557 1.543 . . . . 0.0 110.933 -172.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -82.33 147.52 14.37 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.833 3.022 . . . . 0.0 111.851 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -157.98 159.65 36.66 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.572 1.549 . . . . 0.0 111.977 -169.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.27 135.58 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 O-C-N 121.319 -0.863 . . . . 0.0 110.731 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.364 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 tttp . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.5 mtp -141.21 137.52 32.67 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.504 1.522 . . . . 0.0 112.362 -173.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -83.57 138.16 33.51 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.601 1.561 . . . . 0.0 107.924 167.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.9 mm -120.34 101.82 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.23 1.012 . . . . 0.0 108.774 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.44 168.89 25.69 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.202 0.906 . . . . 0.0 113.319 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.72 16.14 80.4 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.189 0.899 . . . . 0.0 115.153 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt -65.25 164.49 13.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.766 1.226 . . . . 0.0 112.679 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.8 t -84.38 153.09 23.65 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.991 0.916 . . . . 0.0 111.136 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -67.8 -2.86 7.92 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.985 -1.072 . . . . 0.0 112.889 168.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -101.97 -4.72 25.64 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.007 1.323 . . . . 0.0 113.028 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.4 m -71.96 141.4 49.42 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.56 1.073 . . . . 0.0 110.809 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.6 p -121.98 161.88 22.12 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.438 1.895 . . . . 0.0 110.084 174.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -70.0 -29.32 66.37 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.972 0.509 . . . . 0.0 112.358 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.44 -38.85 92.74 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.653 0.781 . . . . 0.0 110.254 168.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.91 -33.05 78.61 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.92 1.248 . . . . 0.0 112.717 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.33 -50.15 72.75 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.927 1.364 . . . . 0.0 110.96 169.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -56.78 -40.11 75.29 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.73 1.15 . . . . 0.0 111.972 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -60.46 -33.15 72.14 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.772 0.829 . . . . 0.0 112.857 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -88.58 -29.97 19.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.867 1.267 . . . . 0.0 114.355 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.18 -17.36 20.88 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.3 -11.13 58.66 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.573 1.083 . . . . 0.0 114.913 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.8 -15.88 57.85 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.874 1.27 . . . . 0.0 113.217 172.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -100.7 -33.62 10.19 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.55 1.14 . . . . 0.0 111.508 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.89 154.0 11.04 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.032 1.777 . . . . 0.0 111.267 173.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.29 145.0 54.92 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 117.68 0.74 . . . . 0.0 110.622 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.2 m -102.6 133.92 44.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 124.293 1.037 . . . . 0.0 110.897 -171.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -83.43 -22.94 32.5 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.861 2.064 . . . . 0.0 112.834 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -164.71 146.46 8.17 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.138 2.175 . . . . 0.0 108.19 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.3 p -145.59 140.84 27.68 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.777 1.231 . . . . 0.0 110.012 174.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.6 mt -145.22 143.73 30.43 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.334 1.454 . . . . 0.0 111.262 -169.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.5 t -134.34 127.6 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 167.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.9 mmt -85.82 53.19 2.69 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.394 1.078 . . . . 0.0 111.92 -169.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -84.34 151.13 24.93 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -173.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -85.05 129.14 57.26 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 123.847 0.859 . . . . 0.0 109.427 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.79 -15.44 19.06 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.044 2.496 . . . . 0.0 113.678 -174.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.11 -30.0 49.26 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.3 1.04 . . . . 0.0 113.18 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 73.8 p -128.18 -13.6 5.01 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.117 1.767 . . . . 0.0 113.798 -170.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 64.2 6.64 3.05 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.546 2.338 . . . . 0.0 113.919 -174.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.5 mtm105 -53.11 122.24 9.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.605 1.162 . . . . 0.0 109.766 169.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.1 p -88.27 -5.69 58.21 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 63.48 5.1 1.97 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.151 1.78 . . . . 0.0 112.63 -168.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.39 20.05 78.01 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 118.023 -1.432 . . . . 0.0 113.981 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -154.12 159.07 41.31 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.778 1.789 . . . . 0.0 115.437 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.26 -158.63 9.11 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.665 1.602 . . . . 0.0 113.036 173.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -146.17 149.42 33.93 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.593 1.557 . . . . 0.0 110.829 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.2 t -140.36 137.82 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.403 1.081 . . . . 0.0 109.781 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -116.33 136.79 52.69 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.095 1.758 . . . . 0.0 107.391 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -104.09 152.47 22.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.032 0.933 . . . . 0.0 111.77 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.15 -14.5 62.97 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.982 0.913 . . . . 0.0 113.461 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -156.63 153.7 28.99 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.021 1.728 . . . . 0.0 110.931 173.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -62.24 -24.51 67.29 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.213 1.005 . . . . 0.0 112.256 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.62 -19.87 52.08 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.41 -37.57 10.74 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.938 0.79 . . . . 0.0 112.439 170.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.6 t -60.81 -47.74 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.944 0.897 . . . . 0.0 109.518 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.44 -45.72 69.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.732 1.213 . . . . 0.0 112.499 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -68.14 -33.22 74.08 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.81 -39.09 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.171 0.441 . . . . 0.0 110.479 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -71.08 -36.55 72.29 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.195 -0.941 . . . . 0.0 112.216 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.81 -16.55 63.3 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -91.65 142.64 27.4 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.578 1.151 . . . . 0.0 111.507 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 p -79.24 -24.45 43.02 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -170.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -154.19 146.61 23.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.536 1.534 . . . . 0.0 111.581 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -133.66 153.38 51.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.292 1.437 . . . . 0.0 110.981 173.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -157.31 129.34 7.17 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.86 0.864 . . . . 0.0 111.01 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -149.11 127.3 12.08 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.546 1.538 . . . . 0.0 108.539 -175.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 59.06 33.0 22.69 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.503 1.521 . . . . 0.0 112.955 -170.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.7 m 65.07 20.92 12.16 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.666 1.587 . . . . 0.0 113.677 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -113.33 132.34 55.61 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.068 1.747 . . . . 0.0 109.232 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.4 m -66.42 117.99 9.43 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 173.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.0 pt -101.53 156.73 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.417 0.627 . . . . 0.0 110.732 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -129.65 81.44 69.56 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 125.046 1.338 . . . . 0.0 110.626 -173.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -86.45 140.09 6.17 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.901 3.067 . . . . 0.0 111.136 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.58 160.98 40.92 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.418 1.487 . . . . 0.0 111.831 -169.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.35 133.79 27.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 O-C-N 121.443 -0.786 . . . . 0.0 110.522 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 123.731 0.812 . . . . 0.0 111.174 178.391 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mtp -137.94 137.0 37.54 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.811 1.644 . . . . 0.0 112.358 -173.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -83.21 135.7 34.68 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.891 1.676 . . . . 0.0 107.038 167.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.6 mm -116.04 100.79 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.151 0.98 . . . . 0.0 108.52 -173.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.41 164.44 22.19 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.242 0.925 . . . . 0.0 113.453 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.85 15.76 80.82 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.37 0.986 . . . . 0.0 115.105 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.71 166.98 7.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.896 1.278 . . . . 0.0 113.011 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 t -84.52 152.87 23.64 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.913 0.885 . . . . 0.0 110.652 169.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -68.26 -5.46 18.55 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.922 -1.111 . . . . 0.0 112.821 169.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -96.59 -7.57 34.02 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.75 1.22 . . . . 0.0 112.985 169.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -71.54 138.43 48.85 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.597 1.09 . . . . 0.0 110.527 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.8 p -119.83 163.72 17.07 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.978 1.711 . . . . 0.0 109.819 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.92 -24.19 65.17 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.73 -38.56 80.29 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 122.897 0.479 . . . . 0.0 110.247 168.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.6 -34.06 82.78 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.529 1.061 . . . . 0.0 112.5 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.94 -52.38 65.29 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.495 1.147 . . . . 0.0 110.489 169.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -55.8 -39.03 70.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.108 0.867 . . . . 0.0 112.286 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.94 -35.3 76.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.087 0.955 . . . . 0.0 112.944 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.17 -39.39 16.7 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.392 1.077 . . . . 0.0 113.237 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -84.16 -17.06 41.25 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -172.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.37 -10.49 48.6 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.608 1.099 . . . . 0.0 114.39 170.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.17 -25.84 61.84 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.669 1.188 . . . . 0.0 112.444 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -103.08 -38.2 7.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.936 1.294 . . . . 0.0 111.722 -174.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.78 159.79 29.58 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.212 1.387 . . . . 0.0 112.246 174.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.98 128.68 36.87 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.19 0.495 . . . . 0.0 109.973 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 m -85.79 136.91 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.512 0.672 . . . . 0.0 110.889 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -89.59 -22.61 22.26 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.37 1.868 . . . . 0.0 112.936 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -166.62 142.98 4.69 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.511 2.324 . . . . 0.0 107.793 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.1 p -141.12 144.54 34.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.691 1.196 . . . . 0.0 109.911 172.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.9 mt -149.21 144.06 26.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.49 1.116 . . . . 0.0 111.617 -169.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -129.47 126.53 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.133 1.373 . . . . 0.0 107.363 168.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.5 mmt -90.83 43.03 1.13 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.454 1.502 . . . . 0.0 113.011 -168.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -63.68 153.14 37.07 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.726 1.21 . . . . 0.0 113.986 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -78.43 129.63 74.07 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.512 1.125 . . . . 0.0 109.929 170.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.5 -11.25 14.39 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 122.446 2.098 . . . . 0.0 114.229 -173.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.08 -44.84 10.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.556 1.071 . . . . 0.0 111.187 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.9 p -109.76 -8.93 14.86 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.062 1.345 . . . . 0.0 113.579 -171.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 68.12 2.98 3.42 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.568 2.347 . . . . 0.0 113.896 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -58.15 135.04 56.98 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.256 0.935 . . . . 0.0 110.761 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.7 p -76.97 -10.27 59.25 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 60.01 14.03 4.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.917 1.687 . . . . 0.0 112.172 -168.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.45 23.31 78.14 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-O 117.881 -1.51 . . . . 0.0 113.891 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -154.43 159.2 40.94 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.858 1.829 . . . . 0.0 115.842 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.04 -157.57 8.44 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.992 1.758 . . . . 0.0 112.738 173.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -147.35 147.92 30.82 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.691 1.596 . . . . 0.0 110.849 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.9 t -142.25 129.43 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.581 1.153 . . . . 0.0 110.507 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.5 m -104.66 143.75 32.65 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.667 1.987 . . . . 0.0 108.116 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -112.85 151.03 30.91 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.555 1.142 . . . . 0.0 111.491 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -67.17 -15.17 63.55 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.237 1.015 . . . . 0.0 113.463 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -156.26 156.07 33.44 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.163 1.785 . . . . 0.0 110.922 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -62.69 -24.42 67.64 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.556 1.142 . . . . 0.0 112.98 177.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.74 -25.06 62.61 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.19 -37.37 18.48 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.175 0.898 . . . . 0.0 112.636 172.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.7 -48.49 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 123.827 0.851 . . . . 0.0 109.342 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.66 -45.9 66.95 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.888 1.275 . . . . 0.0 112.624 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -66.18 -37.75 86.37 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.5 t -69.85 -29.21 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 122.954 0.502 . . . . 0.0 111.075 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.75 -39.07 37.13 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.318 -0.864 . . . . 0.0 111.973 173.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.39 -26.36 63.66 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -176.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -85.28 135.35 33.95 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.519 1.128 . . . . 0.0 110.744 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -81.14 -11.15 59.52 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -169.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -162.83 147.15 11.53 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.018 1.327 . . . . 0.0 111.729 -173.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -142.73 156.43 45.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.86 1.664 . . . . 0.0 110.641 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -153.81 132.53 12.27 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.964 0.906 . . . . 0.0 111.066 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.1 tp -149.8 129.57 13.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.732 1.613 . . . . 0.0 108.966 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t70 58.11 34.29 24.03 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.682 1.593 . . . . 0.0 112.668 -170.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.6 m 65.65 17.86 11.03 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.87 1.668 . . . . 0.0 113.643 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -114.47 131.7 56.53 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.094 1.757 . . . . 0.0 109.135 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 m -72.62 119.07 16.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.283 1.033 . . . . 0.0 108.701 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.3 pt -103.13 150.28 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.717 0.807 . . . . 0.0 111.038 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -127.86 68.97 76.1 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 125.52 1.528 . . . . 0.0 111.149 -172.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -74.37 148.2 38.0 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.93 3.087 . . . . 0.0 111.918 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -158.43 165.06 35.57 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.045 1.738 . . . . 0.0 111.661 -170.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.92 133.8 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 121.209 -0.932 . . . . 0.0 110.782 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.55 0 C-N-CA 124.179 0.992 . . . . 0.0 113.133 -176.839 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.8 tttt . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.6 mtp -140.68 137.73 33.75 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.924 1.69 . . . . 0.0 112.063 -171.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -82.4 138.1 34.54 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.087 1.755 . . . . 0.0 107.741 167.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.3 mm -120.23 99.45 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 124.179 0.992 . . . . 0.0 108.838 -176.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.8 172.0 36.64 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.041 0.829 . . . . 0.0 112.732 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.48 16.51 77.5 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.971 0.796 . . . . 0.0 114.992 171.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.5 163.09 19.29 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.581 1.152 . . . . 0.0 112.156 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.9 t -79.38 152.33 30.44 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.251 0.62 . . . . 0.0 110.906 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -62.52 -12.05 20.08 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.012 -1.055 . . . . 0.0 113.031 168.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.71 -6.71 35.77 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.805 1.242 . . . . 0.0 113.222 174.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 79.9 m -69.77 138.53 52.83 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.616 1.098 . . . . 0.0 110.588 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.6 p -119.59 163.39 17.41 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.056 1.742 . . . . 0.0 109.941 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -68.87 -23.24 64.19 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.21 -36.56 71.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.747 0.419 . . . . 0.0 110.349 168.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.39 -34.29 84.53 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.443 1.02 . . . . 0.0 112.298 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.12 -50.76 71.91 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 118.544 1.172 . . . . 0.0 110.775 169.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -56.88 -39.06 73.65 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.32 0.964 . . . . 0.0 112.228 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.33 -34.62 74.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.132 0.973 . . . . 0.0 112.961 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -87.62 -37.94 16.35 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.482 1.113 . . . . 0.0 113.437 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -86.24 -15.48 40.68 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -173.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.27 -9.74 44.11 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.502 1.049 . . . . 0.0 114.427 170.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -72.89 -25.71 61.17 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.768 1.227 . . . . 0.0 112.555 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -103.51 -32.64 9.37 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.916 1.286 . . . . 0.0 112.224 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.15 166.39 35.87 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.992 1.282 . . . . 0.0 112.496 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.63 127.1 31.51 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.344 -0.504 . . . . 0.0 109.776 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.4 m -86.15 137.63 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.646 0.736 . . . . 0.0 110.939 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -85.92 -26.1 25.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.2 1.8 . . . . 0.0 112.503 175.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -167.44 135.9 2.55 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.47 1.908 . . . . 0.0 108.935 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.1 m -125.76 142.29 51.58 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.975 1.31 . . . . 0.0 109.246 169.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.7 mt -143.9 143.41 31.26 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.796 1.239 . . . . 0.0 111.754 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -132.23 128.89 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.278 1.431 . . . . 0.0 107.753 168.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.8 mmt -89.54 44.6 1.22 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.06 1.344 . . . . 0.0 112.333 -169.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -66.47 150.36 49.06 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.54 128.96 84.81 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 124.868 1.267 . . . . 0.0 109.582 169.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.72 -11.73 12.58 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.594 2.196 . . . . 0.0 114.153 -174.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -91.88 -44.34 8.98 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.367 0.985 . . . . 0.0 110.816 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.8 p -104.37 -9.83 18.21 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.115 0.966 . . . . 0.0 113.157 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 67.66 1.6 2.67 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.377 2.671 . . . . 0.0 114.004 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -61.38 130.64 47.06 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.074 1.349 . . . . 0.0 110.108 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.4 p -71.02 -7.2 44.7 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.29 1.436 . . . . 0.0 114.222 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 64.06 6.19 2.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.442 1.897 . . . . 0.0 112.294 -168.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.64 14.94 81.9 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.235 1.398 . . . . 0.0 114.482 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -156.2 162.47 40.18 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.646 1.723 . . . . 0.0 115.023 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.26 -156.07 7.75 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 125.791 1.663 . . . . 0.0 112.941 172.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -146.27 149.89 34.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.684 1.594 . . . . 0.0 111.031 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.5 t -141.33 135.36 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.5 1.12 . . . . 0.0 110.182 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 m -116.21 141.38 48.22 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.927 2.091 . . . . 0.0 108.099 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -109.99 154.56 22.99 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.529 1.132 . . . . 0.0 112.119 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.7 mmt -68.31 -19.42 64.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.049 0.94 . . . . 0.0 113.125 171.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -148.72 146.25 28.01 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.542 1.937 . . . . 0.0 110.793 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -64.09 -21.68 66.63 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.702 0.801 . . . . 0.0 112.369 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.95 -24.67 62.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.525 1.13 . . . . 0.0 113.873 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.14 -38.01 16.62 Favored Glycine 0 N--CA 1.47 0.952 0 CA-C-N 119.224 0.92 . . . . 0.0 112.426 171.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.63 -47.93 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.748 0.819 . . . . 0.0 109.497 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -52.3 -46.61 66.0 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.825 1.25 . . . . 0.0 112.737 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -64.88 -38.37 90.75 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.1 -29.28 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 122.931 0.492 . . . . 0.0 111.118 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.93 -38.59 36.87 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.321 -0.862 . . . . 0.0 111.967 173.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.38 -24.6 62.98 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -176.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -85.93 135.67 33.58 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.528 1.131 . . . . 0.0 110.685 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -82.25 -9.85 59.34 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -169.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -162.48 145.59 11.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.014 1.326 . . . . 0.0 111.692 -173.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -143.54 153.84 43.0 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.708 1.603 . . . . 0.0 110.691 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -153.51 132.85 12.77 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.015 0.926 . . . . 0.0 110.919 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.3 tp -149.53 130.2 14.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.684 1.594 . . . . 0.0 109.067 -177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 57.26 35.4 26.08 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.682 1.593 . . . . 0.0 112.596 -170.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.4 m 65.49 19.25 11.51 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.683 1.593 . . . . 0.0 113.558 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -117.77 132.98 56.39 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.818 1.647 . . . . 0.0 109.552 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.5 m -74.6 116.83 15.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.475 1.11 . . . . 0.0 108.714 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.1 pt -98.94 158.83 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.655 0.782 . . . . 0.0 111.485 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -128.21 79.18 74.39 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.706 1.602 . . . . 0.0 110.564 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -87.97 134.88 3.22 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.908 3.072 . . . . 0.0 110.61 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -159.33 162.71 35.98 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.088 1.355 . . . . 0.0 112.279 -168.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.26 132.43 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.923 0.889 . . . . 0.0 111.228 -171.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.698 0 C-N-CA 123.867 0.867 . . . . 0.0 111.678 178.639 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.8 tttt . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.144 0.497 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.3 mtp -140.75 137.51 33.47 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.878 1.671 . . . . 0.0 112.246 -170.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -82.29 138.09 34.66 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.068 1.747 . . . . 0.0 107.973 168.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.6 mm -119.87 98.65 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.304 1.041 . . . . 0.0 108.788 -175.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.45 168.87 31.12 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 124.006 0.812 . . . . 0.0 113.333 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.85 16.41 80.43 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.138 0.875 . . . . 0.0 115.063 172.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.38 159.78 26.15 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.505 1.122 . . . . 0.0 112.71 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.4 t -76.97 149.21 35.97 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.152 0.981 . . . . 0.0 110.61 168.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -64.03 -7.88 9.99 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.886 -1.134 . . . . 0.0 114.005 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -95.35 -2.37 49.3 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.558 1.143 . . . . 0.0 112.752 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.3 m -72.2 142.74 49.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.205 1.002 . . . . 0.0 111.107 -173.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -121.22 159.1 26.64 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.71 1.604 . . . . 0.0 109.774 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.97 -26.4 65.02 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.59 -34.95 76.67 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 122.025 -0.422 . . . . 0.0 110.611 168.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.86 -34.44 82.51 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.644 1.116 . . . . 0.0 112.443 172.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.8 -49.75 75.09 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.651 1.225 . . . . 0.0 110.723 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -57.73 -37.9 74.38 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.114 0.87 . . . . 0.0 112.286 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.58 -36.09 77.66 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.655 0.782 . . . . 0.0 112.8 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -84.31 -42.26 15.99 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.48 1.112 . . . . 0.0 113.324 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -82.33 -22.47 35.57 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.47 -12.85 57.31 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.139 1.352 . . . . 0.0 114.002 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -75.13 -20.21 59.52 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.525 1.13 . . . . 0.0 112.361 173.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -97.93 -42.08 7.7 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.414 1.486 . . . . 0.0 110.927 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.03 155.14 15.33 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.37 1.462 . . . . 0.0 112.326 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.48 146.08 52.54 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 117.491 0.646 . . . . 0.0 111.516 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 m -103.22 133.15 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.655 1.182 . . . . 0.0 111.413 -172.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -80.11 -25.82 39.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.848 2.459 . . . . 0.0 112.517 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -161.33 146.43 13.74 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.539 1.936 . . . . 0.0 108.717 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.5 p -149.15 142.52 25.21 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.775 1.23 . . . . 0.0 110.382 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -147.74 144.27 28.15 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.66 1.584 . . . . 0.0 111.094 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.3 t -125.87 121.69 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 166.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.7 mmm -87.82 52.67 2.54 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.195 0.998 . . . . 0.0 112.251 -168.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -73.62 153.72 40.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.663 1.185 . . . . 0.0 113.939 -170.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.77 129.67 88.0 Favored Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 124.91 1.284 . . . . 0.0 109.788 169.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -80.11 -10.53 13.8 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 122.12 1.88 . . . . 0.0 114.15 -172.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -89.17 -41.66 12.12 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.869 1.213 . . . . 0.0 111.348 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.2 p -108.12 -13.08 15.0 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.246 1.418 . . . . 0.0 113.5 -172.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 65.92 4.22 2.9 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.725 2.41 . . . . 0.0 113.634 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.87 126.53 27.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.294 1.838 . . . . 0.0 110.135 171.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.5 p -67.68 -7.28 25.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.974 1.31 . . . . 0.0 114.37 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 61.46 8.29 2.14 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.78 1.632 . . . . 0.0 112.13 -168.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.49 18.23 79.91 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-O 117.799 -1.556 . . . . 0.0 114.475 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -155.25 159.37 40.0 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 120.021 1.91 . . . . 0.0 115.476 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -150.07 -162.18 10.34 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 126.027 1.775 . . . . 0.0 112.984 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -144.96 147.95 33.27 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.658 1.583 . . . . 0.0 110.804 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.4 t -143.31 139.78 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.76 1.224 . . . . 0.0 110.205 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.1 m -122.18 138.16 54.57 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.734 1.614 . . . . 0.0 108.14 172.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -96.6 155.23 16.86 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.203 1.001 . . . . 0.0 112.279 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.29 -15.65 60.59 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 173.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -153.39 156.21 37.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.348 1.859 . . . . 0.0 110.443 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -57.83 -27.86 63.55 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.42 1.088 . . . . 0.0 112.703 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.75 -28.48 56.12 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.66 -31.54 60.42 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-N 119.134 0.879 . . . . 0.0 112.942 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.24 -46.52 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-N 117.852 0.826 . . . . 0.0 109.218 171.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.49 -44.24 76.36 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.959 0.904 . . . . 0.0 112.153 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -64.33 -34.68 78.71 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.843 0.857 . . . . 0.0 113.161 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.78 -42.96 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 122.865 0.466 . . . . 0.0 110.953 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.34 -35.06 78.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.221 0.608 . . . . 0.0 112.326 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.34 -9.09 45.55 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -108.52 136.49 48.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.93 1.292 . . . . 0.0 110.588 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.1 m -84.4 -8.67 58.9 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -168.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -162.44 146.52 11.87 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.155 1.382 . . . . 0.0 111.463 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -143.71 156.06 44.41 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.615 1.566 . . . . 0.0 110.809 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.34 133.26 12.33 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.073 0.949 . . . . 0.0 110.827 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.1 tp -149.53 129.47 13.43 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.587 1.555 . . . . 0.0 109.129 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.2 t70 58.07 36.88 26.35 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.709 1.604 . . . . 0.0 112.621 -172.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.5 m 66.23 18.88 11.03 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.872 1.669 . . . . 0.0 113.67 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -119.0 130.49 55.71 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.047 1.739 . . . . 0.0 109.376 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.9 m -71.86 118.64 14.96 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.399 1.08 . . . . 0.0 108.69 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.1 pt -101.78 158.46 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.832 0.853 . . . . 0.0 111.123 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -131.82 82.08 61.24 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 125.291 1.436 . . . . 0.0 110.39 -173.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -87.0 140.85 5.91 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.765 2.977 . . . . 0.0 111.266 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -156.56 162.43 39.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.512 1.525 . . . . 0.0 112.172 -169.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.37 133.76 26.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.355 -0.84 . . . . 0.0 110.542 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 123.983 0.913 . . . . 0.0 113.268 -175.903 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.5 tttt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.9 mtp -140.1 137.64 34.66 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.176 1.79 . . . . 0.0 112.203 -173.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -81.72 138.32 35.24 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.894 1.677 . . . . 0.0 107.702 167.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mm -120.57 99.93 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.185 0.994 . . . . 0.0 108.941 -176.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.06 169.89 32.6 Favored Glycine 0 N--CA 1.471 0.972 0 C-N-CA 123.953 0.787 . . . . 0.0 113.106 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.45 15.48 81.19 Favored Glycine 0 CA--C 1.535 1.327 0 N-CA-C 115.303 0.881 . . . . 0.0 115.303 170.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.63 166.75 12.27 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.92 1.288 . . . . 0.0 112.411 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.2 t -79.48 151.23 30.92 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.302 0.641 . . . . 0.0 110.784 169.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -59.67 -7.38 1.51 Allowed 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 170.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -120.96 10.37 10.81 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.605 1.562 . . . . 0.0 113.127 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.1 m -67.27 142.08 57.01 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.232 0.924 . . . . 0.0 109.912 169.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.9 p -118.86 160.04 22.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.561 1.545 . . . . 0.0 110.331 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.95 -25.04 64.35 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.87 -36.57 75.59 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.981 -0.449 . . . . 0.0 110.392 168.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.92 -33.84 85.23 Favored Glycine 0 C--N 1.343 0.941 0 C-N-CA 124.468 1.032 . . . . 0.0 112.432 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.45 -50.82 71.24 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.589 1.194 . . . . 0.0 110.935 169.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.94 -39.58 74.81 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.323 0.965 . . . . 0.0 112.14 175.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.06 -34.89 74.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.966 0.906 . . . . 0.0 112.872 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -85.38 -41.46 15.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.344 1.058 . . . . 0.0 113.351 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -82.4 -19.04 39.88 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.61 -9.97 47.19 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.634 1.111 . . . . 0.0 114.317 171.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.34 -27.04 64.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.648 1.179 . . . . 0.0 112.29 170.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -101.04 -35.22 9.43 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.478 1.511 . . . . 0.0 111.382 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.51 153.0 10.5 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 125.95 1.738 . . . . 0.0 111.544 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.09 148.67 35.0 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.603 0.701 . . . . 0.0 110.7 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 m -107.04 133.53 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.52 1.128 . . . . 0.0 111.538 -170.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -78.26 -27.26 47.49 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.451 2.301 . . . . 0.0 112.364 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -163.25 145.62 10.08 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.867 2.067 . . . . 0.0 108.656 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.13 144.29 29.88 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.75 1.22 . . . . 0.0 110.324 171.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -147.37 147.3 30.15 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.401 1.48 . . . . 0.0 111.177 -172.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -133.75 125.76 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 167.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.5 mmt -85.1 51.57 2.21 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.275 1.43 . . . . 0.0 112.382 -169.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -74.18 147.18 42.82 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.302 1.441 . . . . 0.0 113.977 -173.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.74 130.86 80.53 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.268 1.427 . . . . 0.0 110.353 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.77 -10.6 11.72 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.484 2.123 . . . . 0.0 114.493 -173.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.78 -35.18 15.0 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.61 1.096 . . . . 0.0 111.779 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.8 p -115.78 -12.01 11.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.111 1.365 . . . . 0.0 113.425 -172.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.04 6.14 3.32 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.586 2.355 . . . . 0.0 113.441 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -58.88 123.48 16.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.09 1.756 . . . . 0.0 110.083 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.6 p -71.39 -8.62 54.99 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 64.35 5.93 2.81 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.364 1.866 . . . . 0.0 112.703 -168.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.83 15.17 79.8 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-O 118.07 -1.406 . . . . 0.0 114.51 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -156.93 162.51 39.63 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.819 1.81 . . . . 0.0 114.959 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.01 -156.54 7.94 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.721 1.629 . . . . 0.0 113.177 173.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -145.75 150.76 36.83 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.621 1.568 . . . . 0.0 110.953 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.8 t -142.53 137.97 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.844 1.258 . . . . 0.0 109.937 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.5 m -116.97 136.15 53.16 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.558 1.543 . . . . 0.0 108.156 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -96.59 153.65 17.73 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.053 0.941 . . . . 0.0 112.179 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 99.3 mmm -67.5 -14.9 63.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.841 0.856 . . . . 0.0 113.23 173.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -154.73 154.01 32.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.299 1.839 . . . . 0.0 110.665 171.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -60.58 -25.25 66.07 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.589 1.156 . . . . 0.0 112.999 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.25 -23.56 56.41 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.22 -34.71 28.84 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 118.961 0.8 . . . . 0.0 112.731 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.29 -47.49 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 117.89 0.845 . . . . 0.0 109.303 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.14 -45.29 61.6 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.203 1.001 . . . . 0.0 112.65 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -66.77 -37.7 85.12 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.13 -31.66 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.34 0.656 . . . . 0.0 111.209 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.49 -38.25 55.57 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.274 -0.891 . . . . 0.0 111.978 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.37 -16.07 62.4 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -95.01 137.65 33.78 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.76 1.224 . . . . 0.0 111.147 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.2 m -80.63 -10.49 59.73 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -169.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -162.57 147.96 12.36 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.4 1.48 . . . . 0.0 111.551 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.01 155.0 49.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.746 1.618 . . . . 0.0 110.551 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -152.82 131.86 12.61 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.198 0.999 . . . . 0.0 110.372 -173.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.3 tp -153.71 131.87 11.87 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.366 1.466 . . . . 0.0 109.118 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 58.5 38.73 25.47 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.476 1.51 . . . . 0.0 112.58 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.1 m 66.88 23.13 10.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.079 1.752 . . . . 0.0 113.675 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -130.81 134.68 47.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.2 1.8 . . . . 0.0 109.846 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.0 m -67.26 118.09 10.17 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.562 1.145 . . . . 0.0 108.343 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.5 pt -100.07 156.32 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.398 0.618 . . . . 0.0 110.995 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -130.09 80.39 71.02 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 125.403 1.481 . . . . 0.0 110.48 -173.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -86.4 139.83 6.11 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 123.779 2.986 . . . . 0.0 111.186 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -155.45 162.2 40.8 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.542 1.537 . . . . 0.0 111.87 -170.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.0 t -61.03 132.37 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 121.287 -0.883 . . . . 0.0 110.503 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 123.815 0.846 . . . . 0.0 112.054 -178.947 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 tttm . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.5 mtp -137.88 136.81 37.45 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.598 1.559 . . . . 0.0 111.946 -175.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -84.5 131.76 34.61 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 125.85 1.66 . . . . 0.0 107.505 168.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.4 HG22 HD21 ' A' ' 27' ' ' LEU . 13.0 mm -113.36 95.13 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 123.987 0.915 . . . . 0.0 108.583 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.39 165.33 27.47 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 123.959 0.79 . . . . 0.0 112.979 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.15 18.27 79.46 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.185 0.897 . . . . 0.0 114.962 172.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.4 HD21 HG22 ' A' ' 24' ' ' ILE . 81.0 mt -66.13 164.59 15.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.601 1.161 . . . . 0.0 112.641 -179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.4 t -79.32 150.97 31.31 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.179 0.592 . . . . 0.0 110.3 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -59.04 -17.49 26.02 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.924 -1.11 . . . . 0.0 113.302 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -94.81 -7.56 39.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.831 1.652 . . . . 0.0 113.138 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.3 m -67.67 139.57 56.78 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.684 1.129 . . . . 0.0 110.821 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.0 p -121.72 163.31 19.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.203 1.801 . . . . 0.0 110.172 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.53 -25.32 64.87 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.29 -37.26 77.74 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.986 -0.446 . . . . 0.0 110.339 168.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.25 -34.1 84.64 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.395 0.998 . . . . 0.0 112.456 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.93 -52.99 62.69 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 118.673 1.237 . . . . 0.0 110.809 169.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -54.88 -40.09 69.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.405 1.002 . . . . 0.0 112.365 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -59.28 -35.42 73.72 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.033 0.933 . . . . 0.0 112.934 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -88.23 -41.68 12.78 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.387 1.075 . . . . 0.0 113.243 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -83.05 -23.92 32.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.559 1.144 . . . . 0.0 113.923 -172.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 -12.66 56.59 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.586 1.088 . . . . 0.0 113.971 172.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -77.26 -20.43 55.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.759 1.223 . . . . 0.0 112.696 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -98.23 -34.17 10.82 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.94 1.296 . . . . 0.0 111.975 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.74 154.72 13.19 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 127.192 2.329 . . . . 0.0 110.544 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -64.27 138.5 58.47 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.378 1.089 . . . . 0.0 111.143 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -91.76 129.63 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.943 1.297 . . . . 0.0 110.184 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -80.01 -25.9 40.08 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.268 1.827 . . . . 0.0 112.291 173.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -162.13 147.18 12.76 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.002 1.721 . . . . 0.0 109.118 -177.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.3 p -142.92 143.51 32.04 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.585 1.154 . . . . 0.0 110.386 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.7 mt -145.95 143.75 29.71 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.074 1.35 . . . . 0.0 111.322 -174.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.1 t -134.13 129.72 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.464 1.506 . . . . 0.0 107.646 168.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.3 mmt -91.83 42.49 1.1 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.17 1.388 . . . . 0.0 112.577 -169.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -63.24 145.89 54.58 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -173.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -79.87 128.57 73.67 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 124.156 0.982 . . . . 0.0 110.561 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.0 -14.06 21.23 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 122.707 2.271 . . . . 0.0 113.523 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.98 -26.48 48.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.238 1.015 . . . . 0.0 113.022 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 p -135.35 -11.21 2.17 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.252 1.421 . . . . 0.0 113.764 -170.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 64.29 4.44 2.15 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.943 2.497 . . . . 0.0 113.997 -176.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -61.34 131.19 49.5 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.242 1.017 . . . . 0.0 110.577 171.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.2 p -67.19 -9.22 37.99 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.961 1.704 . . . . 0.0 114.717 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 67.4 6.4 4.87 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.816 2.046 . . . . 0.0 112.567 -168.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.86 16.09 81.06 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-O 118.144 -1.365 . . . . 0.0 113.955 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -155.31 161.14 41.17 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.601 1.701 . . . . 0.0 115.404 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.23 -157.03 8.32 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 125.39 1.471 . . . . 0.0 112.894 169.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -144.69 148.94 34.82 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.346 1.458 . . . . 0.0 111.119 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.44 129.66 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.926 0.89 . . . . 0.0 109.968 172.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.4 m -105.46 139.9 39.39 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.7 1.6 . . . . 0.0 107.635 170.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -107.5 151.81 25.07 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.973 1.309 . . . . 0.0 111.367 -178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.6 mtp -73.98 -6.98 50.66 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.168 0.987 . . . . 0.0 113.414 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -156.74 154.42 29.97 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.111 2.165 . . . . 0.0 111.388 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -76.67 -22.57 53.84 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.795 -0.566 . . . . 0.0 112.105 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.17 -25.16 68.22 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.32 -35.82 22.37 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-N 119.823 1.192 . . . . 0.0 112.644 170.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.0 t -59.41 -46.72 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 117.96 0.88 . . . . 0.0 109.452 172.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -51.99 -47.76 64.74 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.078 1.351 . . . . 0.0 112.793 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -65.55 -35.87 82.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.84 -27.37 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.059 0.544 . . . . 0.0 111.276 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.0 mt -80.23 -38.7 30.52 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.063 -1.023 . . . . 0.0 111.733 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.4 -25.97 61.69 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -175.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -84.92 138.27 32.61 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.394 1.078 . . . . 0.0 111.435 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -82.79 -4.14 57.58 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -169.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -161.96 144.99 11.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.586 1.554 . . . . 0.0 111.157 -175.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -139.29 149.37 44.19 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.1 1.36 . . . . 0.0 110.937 173.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -153.31 130.73 11.35 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.964 0.906 . . . . 0.0 110.834 -171.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.6 tp -151.82 133.55 14.82 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.795 1.638 . . . . 0.0 108.855 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.8 t70 59.45 29.45 19.01 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.381 1.473 . . . . 0.0 112.46 -171.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 m 65.42 19.44 11.59 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.283 1.833 . . . . 0.0 113.827 -175.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -114.28 139.25 49.57 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.626 1.57 . . . . 0.0 109.806 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.2 m -72.83 117.94 15.16 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.5 pt -103.22 154.27 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.392 0.677 . . . . 0.0 111.18 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -128.79 67.4 77.34 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 125.171 1.388 . . . . 0.0 111.786 -171.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.2 146.24 28.3 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 124.096 3.197 . . . . 0.0 111.786 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -157.35 163.66 38.4 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.277 1.431 . . . . 0.0 112.428 -171.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.0 t -59.63 133.05 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 124.222 1.009 . . . . 0.0 110.717 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -176.564 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.1 tttt . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 71.1 mtp -139.2 137.77 36.3 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.864 1.665 . . . . 0.0 112.494 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -81.68 140.03 34.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.818 1.647 . . . . 0.0 107.399 167.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.1 mm -122.68 99.1 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.96 0.904 . . . . 0.0 109.103 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.54 168.92 32.34 Favored Glycine 0 N--CA 1.47 0.954 0 C-N-CA 124.055 0.836 . . . . 0.0 112.883 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.01 16.21 80.84 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 171.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.19 162.25 20.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.785 1.234 . . . . 0.0 112.558 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.9 t -76.91 147.96 36.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.094 0.958 . . . . 0.0 110.954 169.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -59.23 -16.18 19.56 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -109.64 9.93 24.99 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.561 1.544 . . . . 0.0 113.048 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.5 m -65.82 141.94 58.11 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.124 0.969 . . . . 0.0 110.09 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.5 p -118.57 160.21 22.19 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.257 1.423 . . . . 0.0 109.968 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -69.38 -22.95 63.68 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.0 -35.94 72.27 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.849 0.459 . . . . 0.0 110.351 167.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.44 -34.11 78.75 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.532 1.063 . . . . 0.0 112.453 172.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.91 -50.62 71.42 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 118.701 1.251 . . . . 0.0 110.49 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -55.23 -39.84 70.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.315 0.961 . . . . 0.0 112.27 175.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -61.02 -35.68 77.51 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.169 0.987 . . . . 0.0 112.909 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -86.5 -35.97 19.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.701 1.2 . . . . 0.0 113.527 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -88.89 -14.14 37.51 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -173.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.34 -10.12 46.51 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.469 1.033 . . . . 0.0 114.045 169.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -71.02 -25.62 62.75 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.826 1.251 . . . . 0.0 112.49 172.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -105.83 -28.98 10.31 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.678 1.191 . . . . 0.0 112.877 -172.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.83 165.78 32.83 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 125.282 1.42 . . . . 0.0 112.435 176.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.54 124.81 24.61 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 122.274 -0.545 . . . . 0.0 109.909 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -85.74 147.35 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.499 0.72 . . . . 0.0 111.292 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -103.27 -16.28 15.72 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.672 1.989 . . . . 0.0 113.775 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -147.37 -85.02 0.1 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.947 0.899 . . . . 0.0 112.407 -170.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.3 m 70.22 130.37 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 128.385 2.674 . . . . 0.0 112.577 -169.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.7 mt -147.94 145.47 28.6 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.531 1.532 . . . . 0.0 111.108 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.93 126.74 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 168.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.5 mmt -86.06 49.11 1.72 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.271 1.428 . . . . 0.0 112.299 -170.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -71.57 148.47 46.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.274 1.43 . . . . 0.0 113.516 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -84.14 126.64 69.39 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.527 1.131 . . . . 0.0 110.163 172.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.97 -13.96 21.33 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.596 2.197 . . . . 0.0 113.757 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.33 -25.65 51.33 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.98 . . . . 0.0 113.037 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -135.97 -10.99 2.01 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.413 1.485 . . . . 0.0 113.716 -170.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.51 6.53 2.58 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.822 2.449 . . . . 0.0 113.677 -175.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -58.97 128.99 40.0 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.985 1.314 . . . . 0.0 110.562 171.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -74.31 -7.36 52.53 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.95 1.3 . . . . 0.0 114.436 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 63.23 5.07 1.82 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.261 1.824 . . . . 0.0 112.758 -168.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.63 15.88 80.83 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-O 118.228 -1.318 . . . . 0.0 114.349 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -157.02 161.53 39.54 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.66 1.73 . . . . 0.0 114.747 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.4 -154.21 6.99 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.679 1.609 . . . . 0.0 112.827 173.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -147.13 151.44 36.82 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.777 1.631 . . . . 0.0 111.087 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.36 131.31 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.491 1.116 . . . . 0.0 110.063 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -111.39 143.67 41.84 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.837 2.055 . . . . 0.0 107.464 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -115.57 153.75 30.64 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.584 1.154 . . . . 0.0 112.004 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.8 mmt -68.7 -14.63 63.15 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.203 1.001 . . . . 0.0 113.494 174.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -155.33 154.56 32.24 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.238 1.815 . . . . 0.0 110.55 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -62.8 -25.21 68.12 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.387 1.075 . . . . 0.0 112.544 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.1 -19.67 54.47 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.82 -23.9 31.71 Favored Glycine 0 CA--C 1.53 1.021 0 CA-C-N 119.705 1.139 . . . . 0.0 113.51 170.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.4 t -67.83 -45.61 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 118.434 1.117 . . . . 0.0 108.535 169.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.4 -47.98 62.76 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.417 1.487 . . . . 0.0 112.929 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -65.21 -35.51 81.27 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.35 -29.94 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.219 0.607 . . . . 0.0 111.306 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.6 mt -77.9 -38.2 46.26 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 121.45 -0.781 . . . . 0.0 111.901 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.31 -21.47 62.06 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -90.21 138.66 31.34 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.999 1.32 . . . . 0.0 110.996 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.2 m -84.43 -12.0 55.18 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.888 1.811 . . . . 0.0 115.888 -169.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -163.18 147.07 10.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.032 1.333 . . . . 0.0 111.807 -174.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -143.07 151.86 41.23 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.971 1.708 . . . . 0.0 109.877 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -151.71 127.8 10.43 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.231 -0.918 . . . . 0.0 110.635 -174.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.66 125.23 15.78 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.273 1.429 . . . . 0.0 109.305 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.9 t70 58.34 42.1 22.06 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.005 1.722 . . . . 0.0 112.652 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 m 67.23 20.41 10.16 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.913 1.685 . . . . 0.0 113.888 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -125.19 127.91 47.53 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.21 1.804 . . . . 0.0 109.064 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.1 m -71.5 120.84 17.65 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.8 pt -99.94 158.49 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 123.832 0.853 . . . . 0.0 110.892 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -130.91 82.89 62.81 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.483 1.513 . . . . 0.0 110.044 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -83.52 143.93 11.15 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.342 2.695 . . . . 0.0 111.471 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -141.61 159.43 42.23 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.675 1.99 . . . . 0.0 110.888 -169.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.52 132.05 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 121.076 -1.015 . . . . 0.0 109.402 170.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 123.563 0.745 . . . . 0.0 112.894 -176.405 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.6 mtp -138.16 134.56 34.7 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.657 1.583 . . . . 0.0 111.945 -173.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -82.33 134.89 35.28 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.838 1.655 . . . . 0.0 107.171 168.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.2 mm -116.1 98.59 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.122 0.969 . . . . 0.0 108.488 -173.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.28 166.01 30.49 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.868 0.747 . . . . 0.0 112.968 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.52 16.55 78.95 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-O 119.041 -0.866 . . . . 0.0 114.98 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.33 163.86 6.11 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.612 1.206 . . . . 0.0 112.358 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.4 t -78.55 151.78 32.26 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.974 0.509 . . . . 0.0 110.723 169.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -61.27 -14.81 29.16 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.008 -1.057 . . . . 0.0 113.38 169.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -102.4 1.19 35.06 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.368 1.467 . . . . 0.0 113.418 176.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 m -71.53 139.66 49.58 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.666 1.121 . . . . 0.0 110.114 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 p -119.74 162.43 19.06 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.915 1.686 . . . . 0.0 110.238 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.25 -22.97 63.8 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.7 -36.56 70.6 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.824 0.45 . . . . 0.0 110.279 168.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.43 -34.07 83.67 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.444 1.021 . . . . 0.0 112.418 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.8 -52.71 63.94 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.6 1.2 . . . . 0.0 110.551 169.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -55.15 -39.44 69.47 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.259 0.936 . . . . 0.0 112.409 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.67 -34.85 74.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.214 1.005 . . . . 0.0 112.979 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -88.28 -38.78 14.92 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.576 1.15 . . . . 0.0 113.289 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -85.29 -15.38 43.59 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -172.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.25 -8.92 46.76 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.614 1.102 . . . . 0.0 114.416 170.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.59 -26.8 60.16 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.726 1.211 . . . . 0.0 112.562 174.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.73 -36.39 9.13 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.293 1.037 . . . . 0.0 112.527 -171.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.72 173.64 44.53 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 126.392 1.949 . . . . 0.0 111.568 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -79.35 120.47 23.83 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 117.781 0.79 . . . . 0.0 109.747 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 m -78.81 145.21 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-O 121.239 0.543 . . . . 0.0 111.36 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -103.77 -29.35 11.09 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.014 1.726 . . . . 0.0 113.397 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -168.16 102.51 0.45 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.364 1.465 . . . . 0.0 109.147 -169.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 59.8 m -101.8 141.45 34.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.449 1.5 . . . . 0.0 110.117 174.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -144.67 147.28 32.86 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.574 1.15 . . . . 0.0 112.116 -177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.9 t -132.7 129.96 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.446 1.498 . . . . 0.0 107.911 168.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.2 mmt -93.96 45.66 1.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.27 1.428 . . . . 0.0 112.261 -169.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 -64.34 151.56 43.59 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -173.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -75.07 136.03 73.22 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.303 1.441 . . . . 0.0 109.934 170.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -83.01 -14.02 8.82 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.574 2.182 . . . . 0.0 113.912 -175.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.5 mt -93.1 -44.66 8.27 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.889 1.276 . . . . 0.0 111.212 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.7 p -101.3 -11.56 19.37 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.415 1.086 . . . . 0.0 112.844 -175.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 mptt 66.89 -1.45 1.37 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.97 2.508 . . . . 0.0 113.712 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.72 133.19 55.87 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.637 1.575 . . . . 0.0 110.499 174.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.0 p -66.07 -6.39 12.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.538 1.535 . . . . 0.0 114.59 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 63.76 7.17 3.03 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.489 1.916 . . . . 0.0 112.225 -168.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.72 17.06 79.34 Favored Glycine 0 C--N 1.341 0.826 0 CA-C-O 118.04 -1.422 . . . . 0.0 114.241 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -157.08 162.23 39.46 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.8 1.8 . . . . 0.0 115.07 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.47 -155.05 7.34 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 125.587 1.565 . . . . 0.0 112.664 171.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -144.89 150.71 37.52 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.455 1.502 . . . . 0.0 110.914 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.4 t -139.63 128.41 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.364 1.066 . . . . 0.0 110.209 170.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.5 m -105.38 146.86 28.87 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.415 1.886 . . . . 0.0 108.102 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -117.61 152.5 35.04 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.657 1.183 . . . . 0.0 111.441 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.83 -8.05 49.8 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.166 1.386 . . . . 0.0 113.024 169.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -156.32 149.51 24.33 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.693 1.997 . . . . 0.0 111.579 -170.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -76.54 -22.65 54.07 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.814 -0.554 . . . . 0.0 112.202 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.87 -25.59 68.37 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.66 -36.68 22.18 Favored Glycine 0 N--CA 1.469 0.871 0 CA-C-N 119.726 1.148 . . . . 0.0 112.655 171.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -59.1 -46.41 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 117.735 0.767 . . . . 0.0 109.495 172.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.37 -47.66 66.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.959 1.304 . . . . 0.0 112.935 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -65.8 -35.68 81.37 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.22 -29.15 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.072 0.549 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.7 mt -78.63 -38.31 40.03 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.238 -0.914 . . . . 0.0 111.8 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.08 -26.09 62.02 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -81.36 142.93 32.56 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.576 1.15 . . . . 0.0 111.66 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.0 p -79.36 -25.02 42.32 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -170.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.4 ttp-105 -155.99 150.45 25.81 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.248 1.419 . . . . 0.0 111.676 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -136.12 152.99 51.41 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.621 1.569 . . . . 0.0 110.51 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -156.8 130.15 8.03 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.505 -0.747 . . . . 0.0 111.036 -169.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.0 tp -152.67 132.72 13.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.958 1.703 . . . . 0.0 108.688 -173.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.6 t70 59.62 29.8 19.38 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.254 1.422 . . . . 0.0 112.301 -170.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 63.98 19.66 11.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.283 1.833 . . . . 0.0 113.559 -174.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -116.19 136.34 53.1 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.921 1.688 . . . . 0.0 109.516 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.7 m -79.08 118.53 21.14 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.927 0.891 . . . . 0.0 109.172 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 21.2 pt -104.55 153.6 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.835 0.854 . . . . 0.0 111.129 -176.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -130.08 75.5 79.31 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 125.634 1.574 . . . . 0.0 110.916 -171.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -81.72 149.37 16.19 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.831 3.021 . . . . 0.0 112.16 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -159.64 164.19 34.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.976 1.711 . . . . 0.0 111.876 -169.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.75 134.54 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 O-C-N 121.214 -0.929 . . . . 0.0 110.882 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -175.834 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.1 tttt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.9 mtp -140.44 137.27 33.81 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 126.283 1.833 . . . . 0.0 111.77 -174.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -83.18 135.46 34.78 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.937 1.695 . . . . 0.0 107.318 167.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.3 mm -115.82 98.28 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.203 1.001 . . . . 0.0 108.712 -173.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.28 160.54 22.94 Favored Glycine 0 N--CA 1.471 0.975 0 C-N-CA 124.108 0.861 . . . . 0.0 113.623 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.63 15.46 79.53 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.446 1.022 . . . . 0.0 115.105 173.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.97 163.5 7.71 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.115 1.366 . . . . 0.0 112.485 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 t -79.86 152.01 29.89 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.589 -0.695 . . . . 0.0 110.672 169.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -61.9 -12.51 18.26 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.813 -1.179 . . . . 0.0 113.443 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -88.01 -14.6 38.64 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.913 1.685 . . . . 0.0 113.233 173.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.6 m -72.26 141.29 48.93 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.38 0.991 . . . . 0.0 112.007 -169.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.2 p -117.55 160.36 21.37 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.553 1.941 . . . . 0.0 110.715 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -70.42 -27.45 64.28 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.481 0.713 . . . . 0.0 112.719 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.54 -37.54 87.02 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.716 0.807 . . . . 0.0 110.412 168.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.65 -34.43 78.4 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.611 1.101 . . . . 0.0 112.547 173.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.43 -51.42 68.8 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.659 1.23 . . . . 0.0 110.383 169.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -56.1 -37.86 69.95 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.814 0.733 . . . . 0.0 112.528 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -59.75 -35.77 75.27 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.881 0.872 . . . . 0.0 112.91 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -88.57 -41.32 12.75 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.893 1.277 . . . . 0.0 113.088 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -81.64 -22.23 37.7 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.406 1.082 . . . . 0.0 113.482 -175.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.18 -13.96 55.1 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.978 1.275 . . . . 0.0 114.147 171.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -78.72 -19.44 52.39 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.646 1.178 . . . . 0.0 112.656 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -98.46 -35.66 10.19 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.444 1.498 . . . . 0.0 111.446 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.84 156.63 21.02 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.146 1.355 . . . . 0.0 112.138 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.72 130.81 47.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.441 0.621 . . . . 0.0 110.338 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 m -90.64 135.26 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.649 0.737 . . . . 0.0 111.194 -175.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -80.11 -27.07 39.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.618 1.967 . . . . 0.0 112.722 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -167.07 141.76 3.95 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.684 1.994 . . . . 0.0 108.122 -171.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.9 p -141.63 144.46 34.18 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.898 1.279 . . . . 0.0 109.878 171.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -146.76 146.31 30.24 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.806 1.242 . . . . 0.0 111.453 -172.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.23 128.24 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.279 1.432 . . . . 0.0 107.428 167.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.2 mmt -89.73 46.4 1.36 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.015 1.326 . . . . 0.0 112.269 -169.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -66.12 146.81 54.22 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -72.41 131.24 84.99 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 125.091 1.356 . . . . 0.0 110.009 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -79.89 -13.19 13.08 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.452 2.102 . . . . 0.0 113.943 -173.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.3 mt -90.08 -38.89 13.25 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.306 0.957 . . . . 0.0 111.688 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.3 p -112.87 -9.85 13.61 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.518 1.527 . . . . 0.0 113.527 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 67.23 0.2 1.99 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.925 2.49 . . . . 0.0 113.886 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -58.5 130.07 45.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.983 1.713 . . . . 0.0 110.589 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.4 p -66.93 -7.77 24.53 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.286 1.435 . . . . 0.0 114.684 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 64.16 7.1 3.25 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.309 1.844 . . . . 0.0 112.315 -168.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.97 17.41 78.49 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-O 118.079 -1.401 . . . . 0.0 114.329 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.26 162.63 39.21 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.811 1.806 . . . . 0.0 115.152 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.06 -156.06 7.66 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 125.444 1.497 . . . . 0.0 112.987 171.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -145.78 150.7 36.69 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.519 1.528 . . . . 0.0 111.07 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.1 t -142.19 135.56 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.513 1.125 . . . . 0.0 110.049 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.3 m -117.73 141.89 47.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.296 1.838 . . . . 0.0 108.398 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.72 155.24 19.89 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.465 1.106 . . . . 0.0 112.251 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.5 mmt -69.33 -15.14 63.27 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.218 1.007 . . . . 0.0 113.417 171.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -155.99 153.93 30.3 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.128 1.771 . . . . 0.0 110.832 174.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -59.99 -26.06 65.74 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.679 1.191 . . . . 0.0 113.099 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.49 -23.73 58.66 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.84 -30.83 31.0 Favored Glycine 0 N--CA 1.469 0.897 0 CA-C-N 119.111 0.869 . . . . 0.0 113.19 172.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.96 -47.02 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.105 0.952 . . . . 0.0 109.125 172.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -51.65 -45.14 63.23 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.656 1.182 . . . . 0.0 112.685 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.16 -38.83 89.05 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.74 -29.21 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.001 0.52 . . . . 0.0 111.15 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.5 -39.02 39.36 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.261 -0.899 . . . . 0.0 112.027 173.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.21 -25.73 63.55 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -85.43 134.52 34.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.562 1.145 . . . . 0.0 110.646 175.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -81.0 -12.09 59.44 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -169.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -161.23 146.88 14.16 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.206 1.403 . . . . 0.0 111.682 -172.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -141.71 153.85 44.91 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.418 1.487 . . . . 0.0 110.921 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -153.24 129.6 10.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.784 1.234 . . . . 0.0 109.843 -173.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.2 tp -155.09 133.28 11.68 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.796 1.638 . . . . 0.0 108.986 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.5 t0 61.24 38.66 16.46 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.871 1.269 . . . . 0.0 112.63 172.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 m 68.99 26.58 5.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.674 1.99 . . . . 0.0 114.137 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -139.6 138.29 36.07 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.008 1.323 . . . . 0.0 110.379 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.8 m -74.88 122.57 23.6 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 170.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 41.6 pt -108.16 154.02 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.856 0.862 . . . . 0.0 111.412 -174.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -128.25 68.29 76.55 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.502 1.521 . . . . 0.0 111.257 -171.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.24 146.78 36.53 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.831 3.02 . . . . 0.0 111.682 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -157.02 163.57 38.93 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.659 1.583 . . . . 0.0 112.044 -169.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.58 134.13 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 123.848 0.859 . . . . 0.0 110.602 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -176.764 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtp -138.56 137.04 36.65 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.79 1.636 . . . . 0.0 112.271 -174.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -83.68 134.63 34.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.032 1.733 . . . . 0.0 107.212 167.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 mm -114.78 96.29 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.132 0.973 . . . . 0.0 108.623 -173.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.15 163.75 30.56 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 123.885 0.755 . . . . 0.0 113.113 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.74 19.17 79.71 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.196 0.903 . . . . 0.0 115.019 172.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.9 mt -62.68 163.92 8.48 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.425 1.112 . . . . 0.0 112.275 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 t -75.75 150.29 37.82 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.895 -0.503 . . . . 0.0 110.413 169.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -58.69 -16.75 17.79 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -112.22 7.62 19.52 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.044 1.738 . . . . 0.0 113.953 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.1 m -65.17 140.54 58.78 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.607 1.094 . . . . 0.0 109.905 173.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.2 p -115.41 159.67 20.84 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.532 1.533 . . . . 0.0 110.806 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -70.32 -23.66 62.87 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.57 -37.81 74.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.587 0.355 . . . . 0.0 110.19 167.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.06 -32.39 82.3 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.61 1.1 . . . . 0.0 112.662 173.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.47 -52.47 64.41 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.634 1.217 . . . . 0.0 110.99 169.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.52 -39.74 73.85 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.466 1.03 . . . . 0.0 112.135 176.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.13 -34.21 71.79 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.162 0.985 . . . . 0.0 113.119 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -88.02 -41.1 13.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.398 1.079 . . . . 0.0 113.449 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.69 -18.55 40.52 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -172.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.91 -11.49 50.89 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.636 1.113 . . . . 0.0 114.375 171.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -71.27 -27.11 63.21 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.56 1.144 . . . . 0.0 112.32 172.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -100.01 -34.66 9.99 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.994 1.318 . . . . 0.0 111.64 -176.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.74 153.44 11.5 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.095 1.807 . . . . 0.0 111.544 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.52 147.32 51.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 117.865 0.833 . . . . 0.0 110.841 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.44 HG21 ' SG ' ' A' ' 49' ' ' CYS . 14.7 m -106.84 137.4 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.683 1.193 . . . . 0.0 111.659 -169.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -85.09 -23.13 28.65 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.077 2.151 . . . . 0.0 112.75 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -168.47 140.34 2.78 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.237 2.215 . . . . 0.0 107.905 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.44 ' SG ' HG21 ' A' ' 46' ' ' VAL . 11.0 m -140.29 136.62 33.45 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.727 1.611 . . . . 0.0 109.038 175.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.1 mt -145.04 144.26 30.9 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.272 1.029 . . . . 0.0 111.918 -171.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -132.12 129.2 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.376 1.471 . . . . 0.0 107.518 168.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.4 mmt -90.26 44.9 1.23 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.009 1.323 . . . . 0.0 112.302 -169.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -66.2 148.91 51.13 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -172.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.6 130.3 85.85 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.063 1.345 . . . . 0.0 110.084 170.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.51 -12.42 13.9 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.421 2.08 . . . . 0.0 114.316 -172.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.3 mp -88.01 -43.69 11.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.513 1.051 . . . . 0.0 111.09 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.2 p -106.77 -12.29 15.55 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.167 1.387 . . . . 0.0 113.318 -171.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 66.42 3.13 2.7 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.886 2.474 . . . . 0.0 113.404 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -55.95 124.05 16.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.177 1.791 . . . . 0.0 110.665 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.2 p -65.5 -8.57 20.08 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 64.79 5.45 2.83 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.501 1.92 . . . . 0.0 112.458 -168.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.12 16.81 77.99 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-O 118.131 -1.372 . . . . 0.0 114.235 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -157.7 163.08 38.54 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.79 1.795 . . . . 0.0 115.151 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.0 -155.37 7.43 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.496 1.522 . . . . 0.0 112.95 170.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -146.96 149.21 32.74 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.527 1.531 . . . . 0.0 111.33 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.1 t -141.35 130.12 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.516 1.126 . . . . 0.0 110.154 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.9 m -109.42 137.64 46.97 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.134 1.773 . . . . 0.0 107.65 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -105.42 154.4 20.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.076 0.95 . . . . 0.0 111.879 -176.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.9 mmt -70.95 -8.35 52.49 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.534 1.134 . . . . 0.0 113.313 171.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -160.88 158.75 28.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.958 2.103 . . . . 0.0 111.642 -174.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -78.72 -22.52 46.45 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.86 -0.525 . . . . 0.0 112.412 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.06 71.55 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.95 -39.99 58.03 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 119.207 0.912 . . . . 0.0 112.594 171.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.03 -48.45 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 117.72 0.76 . . . . 0.0 109.77 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -53.74 -44.79 70.24 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.594 1.158 . . . . 0.0 112.604 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -67.57 -35.39 78.92 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.2 t -70.65 -28.79 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.016 0.526 . . . . 0.0 111.117 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.9 mt -79.06 -38.87 35.32 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.177 -0.952 . . . . 0.0 111.723 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.83 -25.41 61.97 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -85.7 138.58 32.02 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.424 1.09 . . . . 0.0 111.461 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.6 m -82.59 -4.87 58.33 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -169.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -162.08 144.62 11.46 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.557 1.543 . . . . 0.0 111.224 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -139.56 150.53 45.17 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.249 1.42 . . . . 0.0 110.574 173.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -153.0 130.27 11.26 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.778 0.831 . . . . 0.0 111.102 -171.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -150.88 132.96 15.26 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.744 1.618 . . . . 0.0 108.941 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.8 t70 58.25 30.76 19.95 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.362 1.465 . . . . 0.0 112.397 -169.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.2 m 65.96 16.39 10.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.34 1.856 . . . . 0.0 113.63 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -111.3 138.45 47.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.726 1.61 . . . . 0.0 109.731 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.7 m -74.14 117.58 16.1 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.2 pt -103.66 151.57 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.355 0.662 . . . . 0.0 111.149 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -127.7 70.2 76.81 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 125.554 1.542 . . . . 0.0 111.301 -172.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -76.98 149.23 28.68 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.974 3.116 . . . . 0.0 112.082 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -159.48 164.85 34.11 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.847 1.659 . . . . 0.0 111.869 -169.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.74 134.89 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.256 -0.903 . . . . 0.0 110.86 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 124.067 0.947 . . . . 0.0 113.202 -177.757 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.2 tttt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.4 mtp -138.6 135.68 35.21 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 126.386 1.874 . . . . 0.0 111.678 -175.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -81.38 131.1 35.27 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.928 1.691 . . . . 0.0 106.442 168.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.5 mm -111.12 95.21 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -172.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.52 167.14 32.21 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.973 0.797 . . . . 0.0 113.02 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.54 14.38 79.62 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.233 0.921 . . . . 0.0 114.988 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.56 162.4 10.49 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.528 1.164 . . . . 0.0 112.219 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.1 t -77.44 147.48 35.94 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.411 168.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -58.34 -14.63 7.89 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 176.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -105.31 7.46 33.41 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.633 1.573 . . . . 0.0 112.926 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.9 m -69.94 145.49 51.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.414 1.086 . . . . 0.0 110.919 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.6 p -121.51 159.09 27.03 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.731 1.613 . . . . 0.0 110.581 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.02 -27.75 68.35 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.33 -36.73 74.45 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.861 -0.524 . . . . 0.0 110.844 169.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.04 -33.13 84.56 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.352 0.977 . . . . 0.0 112.297 173.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 mt -62.27 -51.95 65.68 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.365 1.083 . . . . 0.0 110.895 169.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -56.68 -39.28 73.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.334 0.97 . . . . 0.0 112.185 176.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -58.61 -33.39 69.96 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.279 1.031 . . . . 0.0 113.042 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -89.7 -41.33 11.98 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.354 1.062 . . . . 0.0 113.379 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -81.79 -19.05 42.03 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -172.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.52 -10.76 50.65 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.691 1.139 . . . . 0.0 114.371 172.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -71.23 -26.02 62.74 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.553 1.141 . . . . 0.0 112.38 172.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -101.44 -38.73 7.88 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.223 1.409 . . . . 0.0 111.439 -176.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.32 154.04 14.82 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 126.329 1.919 . . . . 0.0 111.051 173.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.98 145.29 56.12 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.269 1.035 . . . . 0.0 110.882 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.8 m -99.11 131.38 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 124.13 0.972 . . . . 0.0 110.772 -173.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -79.95 -23.39 41.7 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.619 1.968 . . . . 0.0 112.526 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -170.93 140.49 1.59 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.458 2.303 . . . . 0.0 107.468 -172.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.08 145.3 30.5 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.675 1.19 . . . . 0.0 110.202 176.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.1 mt -149.72 152.03 34.63 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.683 1.193 . . . . 0.0 111.13 -169.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -134.53 126.73 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.838 1.655 . . . . 0.0 106.72 169.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.3 mmt -95.46 42.59 1.09 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.204 1.402 . . . . 0.0 112.607 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -59.78 153.32 20.85 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.26 1.424 . . . . 0.0 114.415 -172.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.5 129.22 92.81 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.788 1.235 . . . . 0.0 109.987 169.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -79.46 -12.03 14.13 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.389 2.059 . . . . 0.0 114.202 -172.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.09 -42.46 12.36 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.543 1.065 . . . . 0.0 111.193 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.5 p -108.25 -11.62 15.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.896 1.279 . . . . 0.0 113.478 -171.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 65.84 2.46 2.18 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.934 2.494 . . . . 0.0 113.573 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.4 mtp-105 -57.98 126.34 27.02 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.864 2.065 . . . . 0.0 110.497 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 p -62.12 -8.51 5.6 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 60.04 11.74 2.83 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.68 1.592 . . . . 0.0 112.473 -168.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.72 17.79 78.29 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-O 117.847 -1.529 . . . . 0.0 114.047 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -155.77 158.33 37.99 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.74 -157.17 8.06 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 126.124 1.821 . . . . 0.0 112.585 173.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -147.39 147.11 29.92 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.323 1.449 . . . . 0.0 111.047 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.9 t -141.63 126.69 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.396 1.078 . . . . 0.0 110.61 174.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 m -101.97 138.42 38.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.639 1.976 . . . . 0.0 107.967 170.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -105.6 149.58 26.18 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.964 0.906 . . . . 0.0 111.281 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.0 mtp -72.62 -6.91 47.5 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.429 1.092 . . . . 0.0 113.549 173.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -153.63 152.07 30.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.492 2.317 . . . . 0.0 110.801 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -75.13 -25.75 58.65 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.696 -0.628 . . . . 0.0 112.273 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.22 -32.51 70.02 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.695 0.798 . . . . 0.0 112.941 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.54 -34.3 78.65 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 119.361 0.982 . . . . 0.0 112.932 173.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 80.6 t -66.42 -48.19 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 118.251 1.025 . . . . 0.0 109.352 173.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.91 -44.04 70.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.073 0.949 . . . . 0.0 112.606 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -67.41 -36.32 81.03 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 82.0 t -70.64 -30.16 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.337 0.655 . . . . 0.0 111.066 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.0 mt -77.03 -38.51 52.68 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.178 -0.951 . . . . 0.0 111.848 173.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.59 -20.51 61.29 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -90.81 138.46 31.57 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.833 1.253 . . . . 0.0 111.371 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -83.65 -5.43 59.18 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -169.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -161.65 144.85 12.3 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.539 1.536 . . . . 0.0 111.216 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.09 151.39 45.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.31 1.444 . . . . 0.0 110.655 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -153.2 130.93 11.58 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.749 0.819 . . . . 0.0 111.033 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.8 tp -150.08 131.99 15.16 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.681 1.592 . . . . 0.0 108.996 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 58.32 33.03 22.77 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.567 1.547 . . . . 0.0 112.327 -171.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m 66.0 17.82 10.89 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.585 1.954 . . . . 0.0 113.926 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -116.01 139.22 50.48 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.734 1.614 . . . . 0.0 109.9 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 m -75.87 115.89 16.02 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.2 pt -100.17 150.43 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.26 0.624 . . . . 0.0 111.137 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -129.7 67.4 79.15 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 125.691 1.597 . . . . 0.0 111.466 -172.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -73.79 148.24 40.89 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 124.141 3.227 . . . . 0.0 111.993 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -157.77 163.78 37.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.077 1.751 . . . . 0.0 111.681 -171.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.8 134.1 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 121.122 -0.986 . . . . 0.0 111.136 -174.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.543 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.168 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.4 tttt . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 113.404 0.891 . . . . 0.0 113.404 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.7 mtp -139.05 137.89 36.67 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.409 1.884 . . . . 0.0 111.952 -174.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -83.86 139.71 32.47 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.896 1.679 . . . . 0.0 108.259 168.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 mm -121.9 102.8 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.178 0.991 . . . . 0.0 109.036 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.34 167.56 26.28 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.242 0.925 . . . . 0.0 113.338 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.73 12.95 82.57 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.46 1.029 . . . . 0.0 115.245 173.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.63 159.64 12.9 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.972 1.309 . . . . 0.0 112.442 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 t -76.88 152.38 35.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.711 0.767 . . . . 0.0 111.473 173.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -62.98 -6.6 4.04 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.292 1.037 . . . . 0.0 113.267 168.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -114.66 6.35 15.66 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.414 1.486 . . . . 0.0 113.417 173.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.3 m -70.53 143.66 51.57 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.652 1.115 . . . . 0.0 110.459 172.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.7 p -124.75 162.21 24.73 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.111 1.765 . . . . 0.0 110.208 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -65.45 -29.62 70.31 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.49 -36.88 79.55 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.864 -0.523 . . . . 0.0 110.861 170.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.8 -33.41 85.8 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.327 0.965 . . . . 0.0 112.454 173.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -61.94 -51.73 66.94 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.495 1.148 . . . . 0.0 111.165 169.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -57.71 -38.69 75.69 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.45 1.023 . . . . 0.0 112.191 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.18 -33.3 70.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.999 0.92 . . . . 0.0 112.846 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -88.94 -42.2 11.95 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.47 1.108 . . . . 0.0 113.402 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -81.33 -19.52 42.66 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 -10.42 48.46 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.76 1.171 . . . . 0.0 114.321 172.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.81 -26.62 63.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.619 1.167 . . . . 0.0 112.337 171.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -101.47 -30.11 11.61 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.065 1.346 . . . . 0.0 112.251 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.9 156.27 11.96 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 127.034 2.254 . . . . 0.0 111.286 176.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.08 147.05 53.93 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.466 1.133 . . . . 0.0 111.153 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.9 m -103.73 131.44 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.499 1.119 . . . . 0.0 111.168 -174.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -81.3 -24.17 37.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.337 2.255 . . . . 0.0 112.977 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -161.33 147.92 14.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.436 1.894 . . . . 0.0 108.614 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.6 p -150.73 141.27 22.54 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.976 1.31 . . . . 0.0 110.06 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -147.8 151.71 36.46 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.661 1.584 . . . . 0.0 111.015 -171.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -138.91 127.36 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.974 1.71 . . . . 0.0 106.571 169.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.403 ' HG3' ' CE2' ' A' ' 63' ' ' PHE . 33.4 mmt -88.73 49.8 1.85 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.216 1.006 . . . . 0.0 112.167 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -74.79 145.54 42.83 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -175.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.3 132.1 70.63 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.215 1.406 . . . . 0.0 109.992 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.36 -12.46 12.77 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.65 2.233 . . . . 0.0 114.057 -174.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 73.8 mt -94.7 -43.38 8.29 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.753 1.221 . . . . 0.0 111.321 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.0 p -104.4 -7.71 19.7 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.749 1.22 . . . . 0.0 112.977 -174.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 64.53 0.49 1.11 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.983 2.513 . . . . 0.0 113.769 176.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.4 mmt-85 -61.87 134.88 57.25 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.651 1.18 . . . . 0.0 110.267 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.3 p -80.85 -2.55 47.82 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.57 1.148 . . . . 0.0 113.474 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 61.5 2.44 0.67 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.913 1.685 . . . . 0.0 112.39 -168.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.52 21.8 77.69 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.456 1.503 . . . . 0.0 113.882 -174.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.403 ' CE2' ' HG3' ' A' ' 52' ' ' MET . 5.2 p90 -155.45 160.45 40.62 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.845 1.822 . . . . 0.0 115.158 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.65 -157.57 8.49 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.764 1.649 . . . . 0.0 112.918 173.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -145.83 151.65 38.25 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.174 1.39 . . . . 0.0 111.244 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.7 t -143.38 134.92 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.882 1.273 . . . . 0.0 109.799 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.7 m -111.67 133.52 53.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.182 1.393 . . . . 0.0 108.105 170.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -91.97 152.49 19.99 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.696 0.798 . . . . 0.0 112.114 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.8 mtt -72.16 -8.85 57.03 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.086 0.954 . . . . 0.0 113.454 170.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -157.01 142.85 17.75 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.521 1.928 . . . . 0.0 111.421 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -68.61 -23.99 64.52 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.357 0.663 . . . . 0.0 112.114 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.79 -19.61 64.2 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.58 -33.83 18.11 Favored Glycine 0 N--CA 1.468 0.824 0 CA-C-N 119.771 1.168 . . . . 0.0 112.555 170.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.65 -46.09 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 117.955 0.878 . . . . 0.0 109.464 170.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -50.03 -47.45 53.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.459 1.104 . . . . 0.0 112.702 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -65.73 -35.75 81.62 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -70.94 -31.95 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.251 0.62 . . . . 0.0 111.319 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -77.25 -38.02 51.9 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.178 -0.951 . . . . 0.0 111.972 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.44 -17.14 62.39 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -176.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -94.64 137.32 33.89 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.711 1.204 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.2 m -80.11 -10.04 59.74 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -169.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -162.87 148.14 11.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.492 1.517 . . . . 0.0 111.43 -176.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -136.88 154.44 50.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.593 1.557 . . . . 0.0 110.759 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -152.13 132.24 13.51 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.156 0.982 . . . . 0.0 110.642 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.4 tp -149.38 130.1 14.12 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.507 1.523 . . . . 0.0 108.884 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.0 t70 59.61 35.35 22.49 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.562 1.545 . . . . 0.0 112.585 -174.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 66.1 18.58 11.03 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.287 1.835 . . . . 0.0 113.895 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -117.95 131.83 56.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.289 1.836 . . . . 0.0 109.616 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.2 m -66.43 121.38 15.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.512 1.125 . . . . 0.0 108.677 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.1 pt -107.18 156.02 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.369 0.668 . . . . 0.0 111.103 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -128.69 80.61 72.31 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.4 1.48 . . . . 0.0 110.619 -173.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -86.36 140.62 6.49 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.921 3.081 . . . . 0.0 111.399 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -157.09 165.19 36.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.555 1.542 . . . . 0.0 112.156 -169.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.44 133.92 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 O-C-N 121.283 -0.886 . . . . 0.0 110.713 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 123.948 0.899 . . . . 0.0 113.356 -176.512 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.3 tttt . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.6 mtp -138.71 139.22 38.31 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 126.307 1.843 . . . . 0.0 112.379 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -82.6 139.24 33.9 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.195 1.798 . . . . 0.0 107.435 167.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mm -122.4 102.42 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.201 1.0 . . . . 0.0 109.316 -175.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.62 171.85 30.87 Favored Glycine 0 N--CA 1.474 1.179 0 C-N-CA 124.037 0.827 . . . . 0.0 113.254 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.44 18.0 78.08 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.187 0.899 . . . . 0.0 115.127 171.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.09 166.8 15.29 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.84 1.256 . . . . 0.0 112.258 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.2 t -82.26 151.27 26.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.441 0.696 . . . . 0.0 110.611 169.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -62.73 -10.83 14.11 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.786 -1.196 . . . . 0.0 113.2 169.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -98.92 -6.7 28.33 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.525 1.93 . . . . 0.0 112.874 174.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.2 m -69.16 140.96 54.68 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.76 1.164 . . . . 0.0 110.74 176.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.6 p -122.87 165.4 16.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.252 1.821 . . . . 0.0 110.374 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -66.13 -25.6 67.06 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 176.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.51 -36.69 71.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.88 0.472 . . . . 0.0 110.743 169.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.53 87.45 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.176 0.893 . . . . 0.0 112.341 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.14 -52.19 65.92 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 118.491 1.146 . . . . 0.0 110.753 169.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -56.3 -38.45 71.27 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.043 0.838 . . . . 0.0 112.401 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.55 -35.08 75.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.212 1.005 . . . . 0.0 112.952 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -88.02 -39.39 14.7 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.422 1.089 . . . . 0.0 113.166 177.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -82.63 -16.76 47.11 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -174.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 -11.59 44.32 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.568 1.08 . . . . 0.0 114.401 170.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -73.16 -26.2 61.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.815 1.246 . . . . 0.0 112.578 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -102.45 -19.98 14.71 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.878 1.271 . . . . 0.0 112.779 -173.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.9 165.4 22.13 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 126.198 1.856 . . . . 0.0 111.93 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.59 130.05 41.71 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 122.058 -0.672 . . . . 0.0 109.984 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.2 m -86.3 135.25 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-O 121.66 0.743 . . . . 0.0 111.05 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -83.02 -25.92 31.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.715 2.006 . . . . 0.0 112.403 172.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -162.42 145.62 11.44 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.724 1.61 . . . . 0.0 109.422 -174.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.7 m -141.31 140.86 33.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.777 1.631 . . . . 0.0 109.305 171.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.9 mt -144.22 153.14 41.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.562 1.545 . . . . 0.0 111.122 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -138.71 129.73 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.725 1.61 . . . . 0.0 107.5 169.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.6 mmt -92.32 51.61 1.8 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.581 1.153 . . . . 0.0 111.796 -169.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -70.17 149.06 47.93 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.208 1.003 . . . . 0.0 113.624 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -75.2 130.51 80.2 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.127 1.371 . . . . 0.0 110.311 170.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -81.57 -10.54 11.97 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.546 2.164 . . . . 0.0 114.5 -173.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.7 -34.44 14.65 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.615 1.098 . . . . 0.0 111.842 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.6 p -117.17 -10.34 10.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.12 1.368 . . . . 0.0 113.467 -172.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.26 2.01 2.21 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.838 2.455 . . . . 0.0 113.969 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -57.57 130.16 45.12 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.755 1.622 . . . . 0.0 110.281 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.0 p -69.86 -4.99 22.75 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.008 1.323 . . . . 0.0 114.444 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 61.24 7.77 1.79 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.904 1.682 . . . . 0.0 112.1 -167.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.09 18.67 79.76 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.004 -1.442 . . . . 0.0 114.087 -178.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -156.26 160.22 39.59 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.969 1.885 . . . . 0.0 115.586 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.43 -156.6 7.99 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 125.813 1.673 . . . . 0.0 113.048 174.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -147.05 151.63 37.23 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.397 1.479 . . . . 0.0 111.016 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.9 t -143.5 138.17 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.547 1.139 . . . . 0.0 110.086 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.6 m -118.55 138.95 52.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.295 1.438 . . . . 0.0 108.562 173.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -98.05 156.65 16.55 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.545 1.138 . . . . 0.0 112.167 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.5 mmt -65.12 -17.41 64.44 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 171.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -155.55 156.41 35.09 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.344 1.858 . . . . 0.0 110.884 173.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -58.53 -26.1 63.16 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.825 1.25 . . . . 0.0 113.466 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.09 -18.63 48.45 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.53 -27.62 26.77 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-N 119.435 1.016 . . . . 0.0 113.242 170.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.64 -45.6 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.326 1.063 . . . . 0.0 109.089 169.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -49.62 -47.26 49.87 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.578 1.151 . . . . 0.0 112.662 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -66.17 -35.98 81.88 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.74 -31.34 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.168 0.587 . . . . 0.0 111.222 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.8 mt -77.3 -38.2 51.14 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.226 -0.921 . . . . 0.0 112.091 174.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -16.92 62.68 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -176.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -95.61 136.9 35.41 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.929 1.291 . . . . 0.0 110.698 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -81.25 -11.02 59.49 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -168.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -163.45 148.18 10.97 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.227 1.411 . . . . 0.0 111.59 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -141.31 153.42 45.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.718 1.607 . . . . 0.0 110.659 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -152.18 132.57 13.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.03 0.932 . . . . 0.0 110.73 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.8 tp -149.2 130.93 15.04 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.609 1.563 . . . . 0.0 109.309 -177.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.5 t70 59.08 34.06 23.21 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.727 1.611 . . . . 0.0 112.669 -175.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 66.48 22.97 10.59 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.27 1.828 . . . . 0.0 113.721 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -123.53 134.66 53.83 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.594 1.558 . . . . 0.0 109.828 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.8 m -76.23 118.65 19.17 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 pt -100.21 158.43 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.838 0.855 . . . . 0.0 111.316 -174.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.51 77.37 73.55 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 125.313 1.445 . . . . 0.0 111.182 -171.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -84.6 147.4 10.98 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.747 2.965 . . . . 0.0 111.896 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -158.63 161.51 37.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.852 1.661 . . . . 0.0 111.784 -171.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.7 t -62.93 134.52 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 O-C-N 121.111 -0.993 . . . . 0.0 110.632 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.553 0 C-N-CA 124.016 0.926 . . . . 0.0 113.205 -175.785 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.9 tttt . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.6 mtp -141.13 137.91 33.09 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.52 1.528 . . . . 0.0 112.408 -171.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -81.82 137.31 35.3 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.164 1.785 . . . . 0.0 107.673 167.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.1 mm -120.33 98.83 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.132 0.973 . . . . 0.0 108.875 -175.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.93 165.87 24.53 Favored Glycine 0 N--CA 1.471 1.006 0 C-N-CA 124.283 0.944 . . . . 0.0 113.828 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.32 15.06 78.96 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.533 1.063 . . . . 0.0 115.282 172.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.7 mt -59.79 157.37 12.31 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.977 1.311 . . . . 0.0 112.541 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -71.14 146.12 49.37 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.965 -0.46 . . . . 0.0 109.779 168.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -58.7 -13.96 7.3 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.943 -1.098 . . . . 0.0 113.827 170.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.11 -9.86 44.07 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.863 1.265 . . . . 0.0 113.792 174.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.7 m -69.41 139.93 54.11 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.511 1.05 . . . . 0.0 111.237 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.6 p -118.95 163.3 17.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.191 1.797 . . . . 0.0 110.21 174.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.43 -25.86 65.23 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 177.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.17 -36.97 77.94 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.824 -0.548 . . . . 0.0 110.462 168.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.69 -33.39 84.21 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.426 1.013 . . . . 0.0 112.516 172.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.94 -50.66 71.26 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.668 1.234 . . . . 0.0 111.0 169.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -56.9 -39.77 75.01 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.504 1.047 . . . . 0.0 112.083 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.56 -33.84 71.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.981 0.912 . . . . 0.0 112.872 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -86.46 -40.83 14.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.448 1.099 . . . . 0.0 113.463 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -83.95 -19.14 35.17 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -172.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.61 -10.09 47.79 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.537 1.065 . . . . 0.0 114.301 171.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -70.32 -26.21 63.66 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.718 1.207 . . . . 0.0 112.362 171.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -103.03 -33.65 9.19 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.354 1.461 . . . . 0.0 111.772 -176.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.58 150.21 8.1 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 126.148 1.832 . . . . 0.0 111.137 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.33 145.38 47.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 117.786 0.793 . . . . 0.0 110.709 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 m -100.23 130.93 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.216 1.007 . . . . 0.0 110.506 -172.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -75.08 -28.78 60.47 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.431 1.893 . . . . 0.0 112.079 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -163.88 151.58 12.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.929 1.691 . . . . 0.0 109.611 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.0 p -145.9 143.78 29.78 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.401 1.081 . . . . 0.0 111.288 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.4 mt -144.67 144.69 31.36 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.212 1.405 . . . . 0.0 111.251 -170.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.67 127.91 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.289 1.435 . . . . 0.0 107.223 168.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.3 mmt -88.2 50.22 1.94 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.916 1.286 . . . . 0.0 111.607 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -66.83 149.31 50.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.097 1.359 . . . . 0.0 113.818 -171.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.33 120.57 82.06 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 125.472 1.509 . . . . 0.0 110.28 173.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.18 -14.41 28.67 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.543 2.162 . . . . 0.0 113.668 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -81.82 -32.16 31.38 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.411 1.005 . . . . 0.0 113.191 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 p -126.27 -12.07 6.3 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.73 1.612 . . . . 0.0 114.273 -172.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 67.04 8.65 6.31 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.573 2.349 . . . . 0.0 113.892 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -56.51 133.29 53.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.454 1.101 . . . . 0.0 109.912 169.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 p -58.5 -17.72 23.46 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 172.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.22 7.54 6.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.511 2.325 . . . . 0.0 112.757 -175.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.18 8.53 74.97 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-O 117.981 -1.455 . . . . 0.0 114.937 173.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -159.97 161.31 34.12 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.824 1.812 . . . . 0.0 115.123 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.01 -158.63 9.01 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 125.761 1.648 . . . . 0.0 112.865 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -147.43 149.58 32.98 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.717 1.607 . . . . 0.0 110.76 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.6 t -140.53 133.06 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.262 1.025 . . . . 0.0 110.083 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.2 m -109.05 134.5 51.59 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.009 1.724 . . . . 0.0 107.459 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -101.54 153.92 19.3 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.384 1.073 . . . . 0.0 112.25 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -66.81 -18.93 65.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.98 0.912 . . . . 0.0 113.364 172.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -156.42 154.49 30.55 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.772 1.629 . . . . 0.0 111.206 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -63.4 -24.26 67.76 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.538 1.135 . . . . 0.0 112.664 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.6 -25.31 64.53 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 178.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.93 -39.84 15.85 Favored Glycine 0 C--N 1.341 0.836 0 CA-C-N 118.953 0.797 . . . . 0.0 112.288 171.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.18 -48.97 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.931 0.892 . . . . 0.0 109.669 174.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -52.65 -46.14 67.01 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.887 1.275 . . . . 0.0 112.62 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.53 -36.39 82.58 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.73 -29.55 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.091 0.556 . . . . 0.0 111.115 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.82 -38.14 38.95 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.243 -0.91 . . . . 0.0 112.109 173.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.54 -23.24 62.59 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -84.33 142.57 30.09 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.819 1.248 . . . . 0.0 111.405 177.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 p -79.62 -24.5 41.91 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -169.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -155.74 147.42 23.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.413 1.485 . . . . 0.0 111.903 -174.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -136.0 153.9 51.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.777 1.631 . . . . 0.0 110.843 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -152.6 131.62 12.6 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.277 1.031 . . . . 0.0 110.529 -172.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.2 tp -149.26 126.97 11.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.355 1.462 . . . . 0.0 109.067 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.3 t70 58.21 38.33 26.23 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.793 1.637 . . . . 0.0 112.643 -171.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.6 m 66.69 17.0 10.53 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.079 1.751 . . . . 0.0 113.864 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -115.89 131.75 56.85 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.427 1.891 . . . . 0.0 109.481 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.7 m -66.63 121.87 16.35 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.463 1.105 . . . . 0.0 108.589 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.1 pt -108.08 155.88 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.445 0.698 . . . . 0.0 111.244 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -124.78 82.77 59.9 Favored Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 125.531 1.532 . . . . 0.0 110.359 -177.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -86.41 132.9 3.76 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.768 2.979 . . . . 0.0 110.233 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -153.74 164.05 38.98 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.166 1.386 . . . . 0.0 112.093 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.18 131.09 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 O-C-N 121.273 -0.892 . . . . 0.0 110.844 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.575 0 C-N-CA 123.615 0.766 . . . . 0.0 111.258 177.528 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.7 tttt . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.6 mtp -142.44 139.09 31.49 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 126.331 1.852 . . . . 0.0 111.985 -171.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -82.23 138.55 34.61 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.15 1.78 . . . . 0.0 108.276 167.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mm -121.52 100.67 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.174 0.99 . . . . 0.0 109.202 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.59 167.38 28.5 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 124.062 0.839 . . . . 0.0 113.222 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.96 18.94 79.34 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.13 0.871 . . . . 0.0 115.123 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.33 165.06 14.79 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.863 1.265 . . . . 0.0 112.259 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.5 t -82.6 153.12 25.62 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.471 0.709 . . . . 0.0 111.088 169.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -65.95 -10.81 42.53 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.971 -1.081 . . . . 0.0 112.342 168.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -95.92 -7.32 36.96 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.045 1.338 . . . . 0.0 113.047 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.3 m -68.43 142.7 55.3 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.499 1.045 . . . . 0.0 110.198 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.3 p -121.97 161.68 22.48 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.64 1.576 . . . . 0.0 109.637 173.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.47 -26.2 65.36 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.45 -35.62 75.83 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.872 -0.518 . . . . 0.0 110.598 168.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.57 -33.82 82.3 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.494 1.045 . . . . 0.0 112.429 172.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.77 -49.98 74.22 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 118.566 1.183 . . . . 0.0 110.739 169.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -57.12 -38.8 73.97 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.25 0.932 . . . . 0.0 112.256 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -60.1 -36.68 77.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.719 0.808 . . . . 0.0 112.859 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -84.15 -39.68 19.13 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.49 1.116 . . . . 0.0 113.409 177.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -86.47 -22.28 26.55 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.76 -12.27 52.77 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.071 1.32 . . . . 0.0 113.917 172.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -75.22 -20.03 59.47 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.811 1.245 . . . . 0.0 112.405 173.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -102.49 -39.31 7.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.527 1.531 . . . . 0.0 111.192 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.62 152.45 11.92 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.48 1.514 . . . . 0.0 112.029 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.87 145.81 55.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 117.777 0.788 . . . . 0.0 111.415 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.9 m -102.38 133.53 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.49 1.116 . . . . 0.0 111.421 -171.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.46 -24.25 34.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.034 2.133 . . . . 0.0 112.493 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -164.05 147.32 9.61 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.064 2.146 . . . . 0.0 108.386 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 p -149.59 142.45 24.73 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.848 1.259 . . . . 0.0 110.206 177.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.1 mt -146.53 143.46 28.92 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.289 1.436 . . . . 0.0 111.524 -171.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.3 t -135.74 129.58 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.379 1.471 . . . . 0.0 107.123 167.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.8 mmt -85.86 56.72 4.1 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.499 1.119 . . . . 0.0 112.866 -169.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 60' ' ' SER . 60.8 mtm180 -72.55 124.53 25.42 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.255 1.022 . . . . 0.0 112.691 176.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -70.47 131.71 88.05 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.263 1.425 . . . . 0.0 109.576 169.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -79.6 -12.69 13.68 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.117 1.878 . . . . 0.0 114.309 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -93.81 -40.87 9.95 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.686 1.13 . . . . 0.0 111.555 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.3 p -106.3 -9.68 16.7 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.073 0.949 . . . . 0.0 113.462 -174.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt 68.73 -0.63 2.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.699 2.4 . . . . 0.0 113.381 174.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -74.19 135.72 42.79 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.787 1.235 . . . . 0.0 110.688 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 97.2 p -88.02 -1.62 58.1 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.649 1.58 . . . . 0.0 113.644 -179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 57.74 11.99 1.5 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.815 1.646 . . . . 0.0 112.2 -168.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.99 27.07 73.52 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-O 118.22 -1.322 . . . . 0.0 114.057 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -153.96 162.38 41.26 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.754 1.777 . . . . 0.0 114.939 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.28 -159.2 9.45 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.901 1.715 . . . . 0.0 113.065 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -147.16 150.9 35.86 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.649 1.58 . . . . 0.0 111.037 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.5 t -142.87 133.64 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.653 1.181 . . . . 0.0 110.125 176.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.4 m -110.22 137.85 47.39 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.684 1.593 . . . . 0.0 108.182 170.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.53 150.31 22.81 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.112 0.965 . . . . 0.0 111.151 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 55.6 mtp -70.91 -6.26 37.06 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -155.78 156.52 34.94 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.677 2.391 . . . . 0.0 110.859 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -73.16 -27.77 61.85 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.62 -0.675 . . . . 0.0 112.226 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.12 68.97 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.57 -32.56 78.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 121.195 -0.94 . . . . 0.0 113.004 173.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.34 -47.61 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 118.127 0.963 . . . . 0.0 109.464 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.22 -43.06 74.13 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.891 0.876 . . . . 0.0 112.223 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -65.8 -35.29 80.27 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.6 t -71.28 -40.37 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 122.845 0.458 . . . . 0.0 110.718 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 mt -69.82 -35.49 74.85 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.264 0.626 . . . . 0.0 112.293 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.94 -11.22 60.45 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -105.29 139.99 39.1 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.381 1.472 . . . . 0.0 110.201 176.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.9 t -91.81 -5.6 53.18 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -168.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -162.06 145.39 11.92 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.982 1.313 . . . . 0.0 111.542 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -144.51 156.41 44.15 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.749 1.62 . . . . 0.0 110.637 -177.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -154.58 133.13 12.03 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.936 0.894 . . . . 0.0 110.887 -173.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.0 tp -149.75 129.39 13.16 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.723 1.609 . . . . 0.0 108.983 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.6 t70 57.71 34.8 24.91 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.658 1.583 . . . . 0.0 112.66 -170.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 m 65.92 17.91 10.94 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.882 1.673 . . . . 0.0 113.7 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -115.75 130.94 57.04 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.186 1.795 . . . . 0.0 109.102 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.8 m -73.72 117.08 15.07 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.453 1.101 . . . . 0.0 108.749 -177.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.3 pt -99.3 153.46 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.585 0.754 . . . . 0.0 110.927 -176.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -129.95 76.63 77.91 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.303 1.441 . . . . 0.0 111.094 -171.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -84.79 146.89 10.61 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.709 2.939 . . . . 0.0 112.013 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -159.37 162.42 35.84 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.824 1.65 . . . . 0.0 111.94 -170.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.64 134.99 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 O-C-N 121.186 -0.946 . . . . 0.0 110.913 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 123.886 0.875 . . . . 0.0 113.193 -175.755 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 119.73 -0.176 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 tttt 85.82 135.41 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 129.368 3.067 . . . . 0.0 113.755 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 81.7 mtp -143.05 137.55 29.32 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.091 1.756 . . . . 0.0 112.087 -169.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -80.05 140.17 36.62 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.901 1.68 . . . . 0.0 108.014 167.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 mm -124.02 101.14 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.44 1.096 . . . . 0.0 109.261 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.35 172.49 34.78 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 124.192 0.901 . . . . 0.0 113.201 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.87 17.96 75.72 Favored Glycine 0 CA--C 1.536 1.39 0 N-CA-C 115.378 0.911 . . . . 0.0 115.378 170.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.45 167.0 11.4 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.966 1.306 . . . . 0.0 112.205 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -82.85 153.51 25.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.408 0.683 . . . . 0.0 111.311 170.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -62.71 -12.94 27.01 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.885 -1.134 . . . . 0.0 112.693 168.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -95.12 -7.49 39.23 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.162 1.385 . . . . 0.0 113.202 174.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.6 m -71.4 138.13 48.89 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.42 1.009 . . . . 0.0 110.803 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.6 p -119.31 164.32 15.84 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.17 1.788 . . . . 0.0 109.754 172.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.3 -23.95 64.8 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.22 -35.55 71.55 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.93 -0.481 . . . . 0.0 110.566 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.71 -34.39 83.19 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.391 0.995 . . . . 0.0 112.223 172.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.35 -51.06 70.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.462 1.131 . . . . 0.0 110.688 169.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.5 ttt85 -56.44 -38.29 71.42 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.127 0.876 . . . . 0.0 112.314 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.91 -35.16 75.97 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.079 0.952 . . . . 0.0 113.062 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -87.19 -39.45 15.47 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.529 1.131 . . . . 0.0 113.304 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -83.32 -15.36 50.34 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 -174.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.92 -10.9 41.64 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.705 1.145 . . . . 0.0 114.443 171.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -73.04 -25.35 60.9 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.959 1.303 . . . . 0.0 112.605 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -102.39 -24.11 13.88 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.08 1.352 . . . . 0.0 112.404 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 168.36 167.78 29.5 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 125.646 1.593 . . . . 0.0 112.453 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -68.26 127.47 33.06 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 122.176 -0.603 . . . . 0.0 109.963 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 m -85.24 133.65 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.893 0.854 . . . . 0.0 110.768 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -83.44 -24.64 31.77 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.982 2.113 . . . . 0.0 112.757 176.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -164.13 148.43 9.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.407 1.883 . . . . 0.0 109.073 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.0 p -145.75 145.5 30.86 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.111 1.364 . . . . 0.0 110.257 171.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.8 mt -148.28 147.31 29.19 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.511 1.524 . . . . 0.0 110.944 -174.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.2 t -132.53 126.17 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.971 1.308 . . . . 0.0 107.625 168.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.4 mmt -85.98 52.85 2.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.309 1.444 . . . . 0.0 112.031 -170.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -73.06 148.71 43.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.481 1.513 . . . . 0.0 113.582 -175.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -74.68 129.65 83.18 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 125.004 1.322 . . . . 0.0 109.728 170.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.9 -10.91 12.66 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.482 2.121 . . . . 0.0 114.284 -173.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -91.51 -45.28 8.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.488 1.04 . . . . 0.0 110.776 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.0 p -102.57 -11.65 18.34 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.146 0.979 . . . . 0.0 113.194 -172.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 65.73 3.31 2.43 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.977 2.511 . . . . 0.0 113.572 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -56.78 129.01 39.46 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.532 1.533 . . . . 0.0 110.194 171.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.2 p -72.03 -6.32 41.43 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.844 1.258 . . . . 0.0 114.26 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 61.33 4.79 0.99 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.138 1.775 . . . . 0.0 112.414 -167.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.16 19.13 79.84 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 118.14 -1.367 . . . . 0.0 114.138 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -156.79 160.86 39.64 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.97 1.885 . . . . 0.0 115.061 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.71 -157.04 8.28 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.87 1.7 . . . . 0.0 113.261 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -146.06 150.54 36.16 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.734 1.613 . . . . 0.0 111.096 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.6 t -143.34 139.9 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.859 1.264 . . . . 0.0 110.057 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.3 m -119.76 139.7 51.89 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.987 1.715 . . . . 0.0 108.607 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -101.06 153.57 19.45 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.375 1.07 . . . . 0.0 111.849 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.6 mmt -65.63 -13.77 59.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.188 0.995 . . . . 0.0 113.669 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -154.53 154.26 32.81 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.088 1.755 . . . . 0.0 110.93 173.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -59.6 -25.99 65.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.622 1.169 . . . . 0.0 112.957 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -23.82 59.3 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.58 -33.04 28.91 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-N 119.082 0.855 . . . . 0.0 112.954 172.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.14 -47.39 90.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 117.848 0.824 . . . . 0.0 109.162 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -51.66 -45.52 63.42 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.488 1.115 . . . . 0.0 112.72 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -65.49 -39.07 91.48 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.99 -29.39 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.094 0.558 . . . . 0.0 111.12 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 mt -78.77 -38.57 38.27 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.297 -0.877 . . . . 0.0 112.149 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.2 -25.1 63.26 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -83.06 139.99 32.93 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.449 1.1 . . . . 0.0 111.049 176.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -83.67 -14.62 51.39 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 -169.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -159.02 148.08 18.57 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.04 1.336 . . . . 0.0 111.79 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -138.35 154.27 48.96 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.7 1.6 . . . . 0.0 110.701 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -153.91 132.44 12.11 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.289 1.036 . . . . 0.0 110.621 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -148.68 127.44 12.55 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.362 1.465 . . . . 0.0 108.98 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 57.92 38.0 26.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.883 1.673 . . . . 0.0 112.821 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.5 m 66.97 17.16 10.49 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.174 1.79 . . . . 0.0 114.173 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -117.14 131.66 56.84 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.833 1.653 . . . . 0.0 109.652 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -67.69 117.08 9.13 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.757 1.223 . . . . 0.0 108.712 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 pt -98.06 157.38 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-O 121.341 0.591 . . . . 0.0 111.114 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -129.14 78.84 75.47 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.475 1.51 . . . . 0.0 110.921 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -87.83 142.55 5.74 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.692 2.928 . . . . 0.0 111.774 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -158.27 164.22 36.65 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.758 1.623 . . . . 0.0 111.936 -170.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.55 134.21 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 O-C-N 121.1 -1.0 . . . . 0.0 110.622 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.34 135.29 36.68 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.973 0.909 . . . . 0.0 112.899 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -61.68 136.26 94.61 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 123.97 0.908 . . . . 0.0 109.83 169.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -69.44 139.1 40.47 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.399 2.733 . . . . 0.0 112.906 -169.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -148.41 167.26 25.73 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 127.221 2.208 . . . . 0.0 111.363 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -118.74 117.64 29.45 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.149 1.379 . . . . 0.0 110.852 -176.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.28 144.22 57.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.835 0.854 . . . . 0.0 111.414 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.77 134.9 20.48 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 124.658 1.183 . . . . 0.0 110.675 -172.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -77.21 150.33 29.03 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.534 2.822 . . . . 0.0 111.735 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.454 1.502 . . . . 0.0 111.886 179.586 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 O4'-C1'-N19 110.386 2.186 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.177 0 O4'-C1'-N19 110.826 2.626 . 0.115 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 100.081 -2.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 1 O4'-C1'-N19 113.502 5.302 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 O4'-C1'-N19 111.405 3.205 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 119.966 -0.064 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -144.63 148.52 34.42 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.177 -0.952 . . . . 0.0 113.216 -172.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.9 mtp -138.76 136.12 35.39 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 125.676 1.59 . . . . 0.0 111.929 -172.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -81.3 138.01 35.74 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.836 1.654 . . . . 0.0 107.408 167.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.9 mm -119.41 99.55 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.108 0.963 . . . . 0.0 108.65 -175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.41 169.66 29.18 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.207 0.908 . . . . 0.0 113.237 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.45 16.66 79.89 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.009 0.814 . . . . 0.0 114.974 172.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.75 164.83 16.27 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.69 1.196 . . . . 0.0 112.653 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 t -80.1 149.6 30.56 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.623 0.769 . . . . 0.0 109.698 168.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -60.23 -13.67 13.7 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.857 -1.152 . . . . 0.0 113.578 169.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -101.51 0.46 36.63 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.003 1.321 . . . . 0.0 113.336 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.9 m -69.41 138.28 53.46 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.615 1.098 . . . . 0.0 110.045 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.1 p -117.85 162.33 18.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.896 1.678 . . . . 0.0 110.176 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.05 -24.81 64.22 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.38 -36.32 76.69 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.0 -0.437 . . . . 0.0 110.289 168.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.05 -34.92 82.77 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.477 1.037 . . . . 0.0 112.436 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.48 -51.71 68.3 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.545 1.173 . . . . 0.0 110.472 169.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -56.47 -38.77 72.16 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.003 0.82 . . . . 0.0 112.372 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.29 -35.39 77.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.056 0.942 . . . . 0.0 112.757 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -85.22 -39.62 17.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.412 1.085 . . . . 0.0 113.256 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -84.14 -16.9 41.89 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -173.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.29 -10.69 49.26 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.543 1.068 . . . . 0.0 114.375 170.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.18 -26.05 61.92 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.673 1.189 . . . . 0.0 112.491 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -103.43 -29.99 10.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.789 1.236 . . . . 0.0 112.654 -173.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.35 162.93 28.48 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 125.76 1.648 . . . . 0.0 112.143 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -67.45 128.33 36.03 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 117.319 0.56 . . . . 0.0 110.06 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 m -86.32 136.23 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 121.473 0.654 . . . . 0.0 110.84 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -84.38 -25.68 28.93 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.191 1.796 . . . . 0.0 112.603 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -166.29 146.02 6.04 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.836 2.055 . . . . 0.0 108.6 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -139.59 147.51 41.23 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.983 1.313 . . . . 0.0 110.299 171.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mt -149.74 141.93 24.08 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.052 1.341 . . . . 0.0 111.103 -172.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -127.55 125.67 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 167.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.5 mmm -91.77 54.83 2.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.191 0.996 . . . . 0.0 111.673 -168.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -74.09 157.1 36.65 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 -169.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -70.0 125.72 92.11 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 124.702 1.201 . . . . 0.0 109.071 168.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.76 -15.93 16.72 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 121.938 1.758 . . . . 0.0 113.467 -177.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.43 -48.24 12.16 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.802 0.841 . . . . 0.0 111.62 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.9 p -109.75 -8.08 14.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.524 1.53 . . . . 0.0 113.583 -169.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 67.89 2.37 3.07 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.02 2.528 . . . . 0.0 113.728 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -55.34 128.98 36.71 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.428 1.491 . . . . 0.0 110.489 172.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.9 p -63.55 -10.03 16.13 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 62.29 9.31 3.19 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.251 1.82 . . . . 0.0 112.461 -169.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.29 15.63 81.32 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 117.68 -1.622 . . . . 0.0 114.353 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -153.99 156.54 37.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.992 1.896 . . . . 0.0 115.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.14 -159.76 9.15 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.123 1.821 . . . . 0.0 112.931 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -149.12 146.29 27.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.169 1.788 . . . . 0.0 110.61 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.0 t -142.24 132.54 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.291 1.036 . . . . 0.0 110.381 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 m -110.18 142.44 41.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.751 2.02 . . . . 0.0 108.175 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -110.5 153.8 24.56 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.297 1.039 . . . . 0.0 111.984 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.9 mmt -68.02 -15.92 63.81 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.264 1.025 . . . . 0.0 113.524 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -157.52 156.23 31.67 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.099 1.76 . . . . 0.0 111.045 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -60.28 -31.06 69.88 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.507 1.123 . . . . 0.0 112.458 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.63 -19.42 57.98 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -175.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.97 -26.38 24.4 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.579 1.082 . . . . 0.0 113.598 170.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.93 -45.85 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.463 1.131 . . . . 0.0 108.941 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -42.1 80.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.692 1.197 . . . . 0.0 112.563 -177.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -63.67 -38.86 92.73 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -70.73 -30.52 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.226 0.611 . . . . 0.0 111.181 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.53 -38.6 48.43 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.499 -0.75 . . . . 0.0 111.981 173.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.59 -22.98 62.5 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -87.47 136.7 32.84 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.732 1.213 . . . . 0.0 110.78 175.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m -83.92 -9.77 58.47 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 -169.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -162.55 146.15 11.49 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.004 1.322 . . . . 0.0 111.712 -172.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -143.62 154.48 43.6 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.659 1.584 . . . . 0.0 110.722 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -152.93 132.99 13.4 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.119 0.968 . . . . 0.0 110.748 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.7 tp -150.74 132.31 14.81 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.644 1.578 . . . . 0.0 109.309 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 t70 57.15 34.8 25.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.611 1.564 . . . . 0.0 112.604 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 m 66.51 19.91 10.87 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.073 1.749 . . . . 0.0 113.725 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -120.11 135.27 55.01 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.715 1.606 . . . . 0.0 109.737 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.0 m -75.04 118.48 18.04 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.488 1.115 . . . . 0.0 108.62 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.8 pt -102.99 158.13 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.89 0.876 . . . . 0.0 111.553 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -127.69 83.48 65.96 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 125.613 1.565 . . . . 0.0 110.243 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -87.55 134.35 3.35 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.786 2.991 . . . . 0.0 110.449 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -154.42 164.49 38.56 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.284 1.434 . . . . 0.0 112.153 -169.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.89 132.51 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 121.188 -0.945 . . . . 0.0 110.999 -174.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.19 135.46 37.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.967 0.907 . . . . 0.0 112.641 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -59.75 137.85 90.08 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.137 0.975 . . . . 0.0 110.588 169.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.05 -179.14 4.04 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 124.088 3.192 . . . . 0.0 112.878 -171.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -48.17 129.78 15.41 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.795 1.638 . . . . 0.0 112.764 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . 0.263 0.5 OUTLIER -138.4 17.42 2.75 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 178.197 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -166.76 177.54 6.42 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.488 2.315 . . . . 0.0 110.526 169.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.49 150.97 97.59 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 124.367 1.067 . . . . 0.0 112.131 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.44 146.43 50.1 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.778 2.986 . . . . 0.0 112.454 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.38 1.872 . . . . 0.0 110.948 179.243 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 0 C5'-C4'-C3' 111.183 -2.878 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.235 1 O4'-C1'-N19 112.482 4.282 . 0.517 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 O5'-C5'-C4' 113.261 2.186 . 0.221 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 1 O4'-C1'-N19 114.551 6.351 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 O5'-C5'-C4' 114.216 2.869 . 0.18 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 119.993 -0.051 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -138.04 148.03 44.69 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.124 -0.985 . . . . 0.0 113.036 -171.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.7 mtp -139.23 136.73 35.28 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.711 1.604 . . . . 0.0 112.152 -173.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -80.78 136.44 36.13 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.806 1.643 . . . . 0.0 107.438 167.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mm -118.44 99.22 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.02 172.99 37.4 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.111 0.862 . . . . 0.0 112.777 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.64 15.62 73.48 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.947 0.784 . . . . 0.0 114.842 172.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.58 163.34 16.37 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.418 1.087 . . . . 0.0 111.953 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.3 t -81.98 153.0 26.45 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.893 -0.504 . . . . 0.0 111.267 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.64 -9.64 14.83 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.128 -0.983 . . . . 0.0 113.014 168.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -99.45 -5.43 29.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.278 1.431 . . . . 0.0 113.489 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.4 m -71.57 142.66 50.04 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.59 1.087 . . . . 0.0 110.964 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.5 p -123.17 162.75 21.92 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.209 1.804 . . . . 0.0 110.291 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.48 -28.96 69.58 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.89 -36.46 78.09 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.217 0.462 . . . . 0.0 110.846 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.65 -34.04 86.25 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 118.993 -0.893 . . . . 0.0 112.366 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.02 -51.86 66.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.6 1.2 . . . . 0.0 110.691 169.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -56.53 -38.27 71.63 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.141 0.882 . . . . 0.0 112.348 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.51 -34.45 74.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.136 0.975 . . . . 0.0 112.854 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -88.78 -39.05 14.2 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.51 1.124 . . . . 0.0 113.295 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -84.25 -17.23 40.4 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -173.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.01 -9.94 49.36 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.578 1.085 . . . . 0.0 114.385 170.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -71.4 -25.98 62.58 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.576 1.151 . . . . 0.0 112.367 171.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -103.58 -37.45 7.54 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.009 1.323 . . . . 0.0 111.708 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.13 159.48 27.77 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.118 1.342 . . . . 0.0 112.386 174.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.76 133.08 52.86 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.905 0.482 . . . . 0.0 110.027 175.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.7 m -92.61 134.78 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.835 0.826 . . . . 0.0 111.273 -175.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -85.1 -25.22 27.66 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.041 2.136 . . . . 0.0 112.653 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -163.26 146.03 10.26 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.97 2.108 . . . . 0.0 108.294 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 p -148.16 135.03 20.08 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.261 1.425 . . . . 0.0 109.553 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.87 152.1 40.72 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.28 1.432 . . . . 0.0 111.124 -170.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -136.8 127.99 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.654 1.582 . . . . 0.0 107.1 169.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.3 mmt -90.54 49.29 1.65 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.375 1.07 . . . . 0.0 112.168 -169.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -67.32 146.13 54.41 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -74.59 132.17 78.7 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.634 1.574 . . . . 0.0 110.174 173.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.59 -12.12 12.59 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.473 2.116 . . . . 0.0 114.001 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.6 mt -90.9 -39.42 12.3 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.461 1.028 . . . . 0.0 111.567 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -109.87 -12.84 14.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.451 1.501 . . . . 0.0 113.344 -173.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 65.84 2.32 2.13 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.776 2.431 . . . . 0.0 113.599 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -57.56 130.76 47.8 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.259 1.824 . . . . 0.0 110.062 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 85.9 p -69.77 -6.1 29.88 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 62.45 7.01 2.15 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.157 1.783 . . . . 0.0 112.277 -168.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.16 14.65 82.37 Favored Glycine 0 C--N 1.341 0.851 0 C-N-CA 125.175 1.369 . . . . 0.0 114.596 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -156.27 161.07 40.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.756 1.778 . . . . 0.0 115.411 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.75 -157.01 8.05 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 126.054 1.787 . . . . 0.0 112.709 174.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -146.63 149.65 33.92 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.072 1.349 . . . . 0.0 111.159 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.9 t -141.47 133.09 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.287 1.035 . . . . 0.0 110.279 172.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.3 m -110.87 141.33 44.4 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.433 1.893 . . . . 0.0 107.933 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -108.81 153.58 23.3 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.405 1.082 . . . . 0.0 111.76 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.2 mmt -67.59 -16.23 64.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.202 1.001 . . . . 0.0 113.473 173.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -156.61 156.0 32.78 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.998 1.719 . . . . 0.0 111.14 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -62.01 -24.27 66.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.753 1.221 . . . . 0.0 113.061 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.81 -24.94 62.65 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.75 -38.35 16.76 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-N 119.188 0.904 . . . . 0.0 112.527 172.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.66 -48.63 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.897 0.879 . . . . 0.0 109.502 174.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.77 -46.2 67.47 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.682 1.193 . . . . 0.0 112.662 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -66.14 -36.66 83.71 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.04 -32.24 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.009 0.524 . . . . 0.0 111.041 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.7 mt -76.5 -37.82 56.21 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.446 -0.784 . . . . 0.0 112.081 174.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.35 -13.94 62.36 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -100.51 133.7 44.57 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.247 1.419 . . . . 0.0 110.423 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.8 m -88.14 -3.87 58.82 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -169.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.1 tpt85 -158.54 135.98 10.14 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.399 1.48 . . . . 0.0 110.925 -169.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -140.61 160.97 38.85 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.057 1.343 . . . . 0.0 110.877 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -159.49 135.17 8.54 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.936 0.894 . . . . 0.0 111.616 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -152.56 132.03 12.97 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.742 1.617 . . . . 0.0 108.588 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.9 t70 59.34 30.22 19.9 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.284 1.433 . . . . 0.0 112.296 -169.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.9 m 64.56 18.07 11.19 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.112 1.765 . . . . 0.0 113.358 -175.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -114.42 136.45 52.98 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.013 1.725 . . . . 0.0 109.821 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.6 m -77.36 109.62 11.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.054 0.941 . . . . 0.0 109.391 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.4 pt -93.81 157.52 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 121.326 0.584 . . . . 0.0 111.552 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -134.29 81.24 50.36 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 125.58 1.552 . . . . 0.0 110.525 -172.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -87.38 143.67 6.54 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.971 3.114 . . . . 0.0 111.722 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -157.65 162.15 38.65 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.57 1.548 . . . . 0.0 112.222 -170.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.01 133.57 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 121.336 -0.853 . . . . 0.0 110.657 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.68 141.84 40.78 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.765 0.826 . . . . 0.0 111.876 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -56.95 147.83 52.58 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 123.917 0.887 . . . . 0.0 112.034 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -53.96 142.1 65.51 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 124.127 3.218 . . . . 0.0 113.562 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -148.25 152.89 37.94 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.22 1.808 . . . . 0.0 111.565 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -139.17 120.35 14.71 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.344 1.857 . . . . 0.0 109.487 173.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -167.5 166.4 14.27 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.444 1.897 . . . . 0.0 111.207 -174.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -154.72 160.14 31.2 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.793 1.637 . . . . 0.0 111.327 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.51 158.79 47.33 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.885 2.39 . . . . 0.0 110.353 168.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.252 1.186 0 C-N-CA 125.643 1.577 . . . . 0.0 111.498 -179.767 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 0 O4'-C4'-C3' 108.764 2.331 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.222 0 O4'-C1'-N19 111.651 3.451 . 0.052 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 O5'-C5'-C4' 113.374 2.267 . 0.207 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 1 O4'-C1'-N19 113.388 5.188 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 O4'-C1'-N19 111.487 3.287 . 0.117 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.8 tttt 91.65 135.73 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 129.757 3.223 . . . . 0.0 113.831 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.8 mtp -142.69 138.11 30.35 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 126.291 1.837 . . . . 0.0 111.802 -171.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -81.3 138.42 35.71 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.709 1.603 . . . . 0.0 107.158 167.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 mm -118.13 105.04 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.163 0.985 . . . . 0.0 108.561 -176.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.61 166.45 21.69 Favored Glycine 0 N--CA 1.473 1.116 0 C-N-CA 124.301 0.953 . . . . 0.0 113.15 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.42 16.06 80.09 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.371 0.986 . . . . 0.0 114.951 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.32 166.1 8.61 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.441 1.121 . . . . 0.0 112.342 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -83.04 151.48 25.79 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.247 0.619 . . . . 0.0 111.005 171.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -65.3 -7.06 11.55 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 120.886 -1.134 . . . . 0.0 114.037 173.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -116.7 9.06 13.93 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.755 1.622 . . . . 0.0 113.396 173.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.0 m -67.96 140.67 56.43 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.314 0.961 . . . . 0.0 109.608 171.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.2 p -116.8 159.97 21.53 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.609 1.564 . . . . 0.0 110.281 175.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -68.18 -25.14 65.09 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.06 -36.59 75.09 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.937 -0.477 . . . . 0.0 110.549 168.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.57 -34.06 86.45 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.564 1.078 . . . . 0.0 112.376 172.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.96 -51.24 70.12 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 118.407 1.104 . . . . 0.0 111.005 169.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.6 -39.92 74.41 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.213 0.915 . . . . 0.0 112.134 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.38 -34.0 71.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.089 0.956 . . . . 0.0 112.954 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.71 -41.18 13.53 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.284 1.034 . . . . 0.0 113.363 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -81.47 -18.72 44.25 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -173.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.94 -10.81 48.22 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.654 1.121 . . . . 0.0 114.458 171.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.85 -26.9 63.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.6 1.16 . . . . 0.0 112.426 171.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -100.25 -35.61 9.57 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.38 1.472 . . . . 0.0 111.36 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.98 153.7 11.53 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 126.226 1.87 . . . . 0.0 111.24 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.86 144.85 54.26 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 117.98 0.89 . . . . 0.0 110.743 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 m -99.68 132.52 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 124.171 0.988 . . . . 0.0 110.888 -172.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -80.62 -23.79 39.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.526 1.93 . . . . 0.0 112.396 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -165.15 146.04 7.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.05 2.14 . . . . 0.0 108.481 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.98 143.6 28.55 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.742 1.217 . . . . 0.0 110.215 173.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.6 mt -148.63 145.04 27.58 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.046 1.338 . . . . 0.0 111.433 -171.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.88 127.41 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.034 1.334 . . . . 0.0 107.631 168.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.7 mmt -88.1 43.62 1.14 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.125 1.37 . . . . 0.0 112.518 -170.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -69.52 142.96 53.56 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -82.61 133.64 49.16 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 124.825 1.25 . . . . 0.0 111.337 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -73.37 -15.4 25.11 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.948 2.432 . . . . 0.0 113.456 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.24 -30.98 58.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.553 1.141 . . . . 0.0 113.555 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.7 p -136.79 -6.24 1.92 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.674 1.59 . . . . 0.0 114.174 -173.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 64.38 7.21 3.46 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.586 2.354 . . . . 0.0 113.72 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -68.93 133.57 48.38 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.851 1.26 . . . . 0.0 110.555 176.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.7 p -77.2 -9.16 58.6 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.348 1.459 . . . . 0.0 114.082 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 60.24 10.11 2.21 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.764 1.626 . . . . 0.0 112.242 -167.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.49 23.18 76.09 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-O 117.562 -1.688 . . . . 0.0 114.434 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -149.96 157.67 43.4 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.338 2.069 . . . . 0.0 116.343 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.4 -160.13 9.96 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 126.483 1.992 . . . . 0.0 112.665 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -146.94 149.14 32.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.586 1.555 . . . . 0.0 111.145 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.6 t -143.14 135.91 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.536 1.134 . . . . 0.0 110.326 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.9 m -112.84 139.53 48.4 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.074 1.75 . . . . 0.0 108.201 171.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -103.48 149.86 24.44 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.284 1.034 . . . . 0.0 111.175 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.6 mtp -69.68 -10.62 59.0 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -152.89 152.47 31.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.176 1.791 . . . . 0.0 110.766 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -60.63 -25.98 66.7 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.717 1.207 . . . . 0.0 112.781 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.23 -24.22 58.51 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.33 -35.51 26.32 Favored Glycine 0 N--CA 1.469 0.871 0 CA-C-N 119.062 0.847 . . . . 0.0 112.7 172.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.71 -48.02 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 117.89 0.845 . . . . 0.0 109.31 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.8 -44.98 63.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.338 1.055 . . . . 0.0 112.695 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -67.31 -37.61 83.64 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.61 -30.5 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.064 0.545 . . . . 0.0 111.012 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -77.78 -38.63 46.25 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.437 -0.789 . . . . 0.0 112.087 173.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.22 -19.51 63.15 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -94.11 135.81 35.07 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.009 1.324 . . . . 0.0 110.661 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m -83.19 -9.76 58.99 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -169.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -162.77 146.36 11.22 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.021 1.328 . . . . 0.0 111.618 -173.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -143.16 156.77 44.85 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.701 1.6 . . . . 0.0 110.774 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -153.43 132.57 12.63 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.312 -0.868 . . . . 0.0 111.229 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.9 tp -149.89 132.34 15.67 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.036 1.734 . . . . 0.0 108.804 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.5 t70 59.38 30.11 19.76 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.267 1.427 . . . . 0.0 112.498 -171.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m 65.14 17.29 10.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.242 1.817 . . . . 0.0 113.656 -174.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -112.86 136.1 52.88 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.795 1.638 . . . . 0.0 109.413 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.3 m -79.37 115.25 18.9 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.897 0.879 . . . . 0.0 109.124 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.1 pt -101.72 148.33 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.61 0.764 . . . . 0.0 111.247 -175.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -129.09 71.53 81.98 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 125.51 1.524 . . . . 0.0 111.286 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.04 149.27 28.53 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 124.113 3.208 . . . . 0.0 112.227 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -159.53 162.4 35.44 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.684 1.594 . . . . 0.0 112.108 -170.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.85 135.45 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 123.993 0.917 . . . . 0.0 110.889 -176.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.02 143.86 31.26 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -175.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -59.76 157.73 27.2 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 125.675 1.59 . . . . 0.0 111.058 167.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -58.76 165.58 7.91 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.799 2.999 . . . . 0.0 113.723 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.67 160.52 38.98 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.728 1.611 . . . . 0.0 113.55 -168.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -141.33 139.35 33.58 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.35 1.86 . . . . 0.0 110.351 175.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -160.86 173.62 15.06 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.821 1.649 . . . . 0.0 111.536 -174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.61 146.51 22.49 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.647 1.579 . . . . 0.0 110.755 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.83 113.49 3.73 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.239 2.626 . . . . 0.0 110.092 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.53 1.532 . . . . 0.0 111.865 -172.807 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 O4'-C4'-C3' 108.296 1.997 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 O4'-C1'-N19 111.401 3.201 . 0.102 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 C5'-C4'-C3' 110.886 -3.076 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 1 O4'-C1'-N19 114.263 6.063 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 O4'-C1'-N19 110.815 2.615 . 0.013 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.9 tttt 97.84 139.02 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 130.377 3.471 . . . . 0.0 113.522 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 81.8 mtp -143.31 139.11 29.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.309 1.844 . . . . 0.0 111.904 -171.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -84.07 138.51 33.02 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.885 1.674 . . . . 0.0 107.525 167.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.8 mm -119.61 106.04 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.124 0.97 . . . . 0.0 108.948 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.8 166.54 20.43 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.206 0.908 . . . . 0.0 113.423 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.78 15.19 80.9 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.388 0.994 . . . . 0.0 115.066 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.58 162.47 8.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.849 1.26 . . . . 0.0 112.369 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -77.41 147.88 35.79 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.791 -0.568 . . . . 0.0 109.874 168.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -58.77 -17.96 27.8 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -106.63 6.93 30.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.079 1.352 . . . . 0.0 113.744 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.3 m -65.05 133.12 50.95 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.52 1.054 . . . . 0.0 109.416 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -108.7 161.86 14.7 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.462 1.505 . . . . 0.0 110.288 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.01 -22.86 64.04 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.26 -37.0 71.94 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.999 -0.438 . . . . 0.0 110.332 167.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.62 -33.33 84.14 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.738 1.161 . . . . 0.0 112.524 173.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.21 -51.23 69.86 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.418 1.109 . . . . 0.0 111.217 169.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -57.19 -39.39 75.27 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.419 1.009 . . . . 0.0 112.05 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.64 -34.78 73.24 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.92 0.888 . . . . 0.0 113.064 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -86.57 -40.65 14.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.383 1.073 . . . . 0.0 113.388 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -82.41 -17.59 44.91 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -173.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.1 -11.17 44.21 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.653 1.12 . . . . 0.0 114.429 171.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -71.41 -26.24 62.67 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.819 1.248 . . . . 0.0 112.44 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -100.93 -26.03 13.88 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.387 1.475 . . . . 0.0 111.874 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 166.49 158.95 11.56 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 126.32 1.914 . . . . 0.0 111.629 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.54 145.81 55.56 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 117.893 0.846 . . . . 0.0 110.707 175.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.5 m -104.86 133.8 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 124.676 1.191 . . . . 0.0 111.132 -170.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -79.76 -24.72 41.33 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.008 2.123 . . . . 0.0 112.33 176.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -163.89 145.68 9.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.429 1.892 . . . . 0.0 109.065 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.3 m -143.19 137.36 28.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.919 1.687 . . . . 0.0 108.961 172.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.4 mt -145.63 145.83 31.1 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.058 1.343 . . . . 0.0 111.599 -171.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.68 128.96 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.006 1.323 . . . . 0.0 108.158 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.8 mmt -93.56 47.33 1.23 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.294 1.437 . . . . 0.0 111.68 -170.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -63.03 160.11 15.75 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.987 1.315 . . . . 0.0 114.54 -171.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -76.93 129.9 77.36 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 125.458 1.503 . . . . 0.0 109.953 169.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.76 -12.47 13.55 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.48 2.12 . . . . 0.0 114.268 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -87.96 -44.02 11.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.517 1.053 . . . . 0.0 111.064 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.5 p -106.05 -12.78 15.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.204 1.402 . . . . 0.0 113.265 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 66.16 3.6 2.76 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.906 2.483 . . . . 0.0 113.418 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -57.55 127.98 34.74 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.409 1.884 . . . . 0.0 110.253 172.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.1 p -60.2 -12.1 7.87 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 62.17 10.94 4.05 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.424 1.89 . . . . 0.0 112.477 -169.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.54 14.91 81.62 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 117.445 -1.753 . . . . 0.0 114.563 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -153.27 157.0 39.5 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.509 2.154 . . . . 0.0 116.443 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.31 -161.54 10.66 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.348 1.927 . . . . 0.0 113.117 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -146.56 148.86 32.58 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.824 1.65 . . . . 0.0 110.758 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.4 t -143.83 138.47 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.609 1.163 . . . . 0.0 110.132 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.1 m -121.73 135.32 54.94 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.572 1.549 . . . . 0.0 108.497 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -95.06 154.76 17.03 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.022 0.929 . . . . 0.0 112.111 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -65.42 -16.5 63.69 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -154.75 154.57 33.04 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.211 1.804 . . . . 0.0 111.083 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -58.64 -26.7 64.01 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.768 1.227 . . . . 0.0 113.029 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.3 -23.69 57.19 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.54 -33.43 28.04 Favored Glycine 0 N--CA 1.47 0.908 0 CA-C-N 119.076 0.853 . . . . 0.0 112.904 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.83 -47.58 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.937 0.869 . . . . 0.0 109.13 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -51.87 -45.02 63.93 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.448 1.099 . . . . 0.0 112.641 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.53 -38.62 87.56 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.48 -29.38 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.975 0.51 . . . . 0.0 110.966 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.3 mt -78.78 -38.81 37.56 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.282 -0.886 . . . . 0.0 112.075 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.54 -24.05 63.67 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -87.71 135.26 33.45 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.673 1.189 . . . . 0.0 110.627 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -81.14 -11.44 59.46 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 -169.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -163.01 147.61 11.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.107 1.363 . . . . 0.0 111.696 -173.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -142.02 155.62 45.42 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.833 1.653 . . . . 0.0 110.718 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -153.77 132.38 12.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.078 0.951 . . . . 0.0 110.731 -174.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.4 tp -148.67 127.83 12.88 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.694 1.598 . . . . 0.0 109.036 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.0 t70 59.11 36.98 24.29 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.645 1.578 . . . . 0.0 112.562 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 m 65.78 19.54 11.37 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.898 1.679 . . . . 0.0 113.588 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -120.17 129.47 54.14 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.405 1.882 . . . . 0.0 109.126 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.5 m -73.98 120.0 18.97 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.506 1.122 . . . . 0.0 108.73 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -103.5 152.61 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.78 0.832 . . . . 0.0 111.234 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -128.19 75.28 78.95 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.557 1.543 . . . . 0.0 110.933 -172.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -82.33 147.52 14.37 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.833 3.022 . . . . 0.0 111.851 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -157.98 159.65 36.66 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.572 1.549 . . . . 0.0 111.977 -169.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.27 135.58 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 O-C-N 121.319 -0.863 . . . . 0.0 110.731 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.55 142.09 34.47 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -57.77 166.13 2.05 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 126.009 1.724 . . . . 0.0 112.807 169.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -53.11 167.55 0.7 Allowed 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 124.558 3.506 . . . . 0.0 115.001 174.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -154.34 145.72 23.03 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.423 1.489 . . . . 0.0 112.142 -168.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -141.89 112.54 7.21 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.187 1.795 . . . . 0.0 110.248 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -163.58 145.38 9.46 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.368 1.867 . . . . 0.0 110.466 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -159.68 164.91 19.12 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 125.381 1.472 . . . . 0.0 111.846 -174.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -63.27 155.72 60.05 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.544 2.829 . . . . 0.0 111.897 168.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt . . . . . 0 C--O 1.253 1.268 0 C-N-CA 126.811 2.044 . . . . 0.0 112.743 175.785 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.392 0 O4'-C4'-C3' 108.262 1.973 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.036 0 O4'-C1'-N19 112.03 3.83 . 0.486 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C5'-C4'-C3' 111.441 -2.706 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 1 O4'-C1'-N19 113.644 5.444 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 O4'-C1'-N19 112.077 3.877 . 0.01 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 110.762 -0.088 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -133.91 145.98 50.1 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.887 -1.133 . . . . 0.0 112.79 -169.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.5 mtp -141.21 137.52 32.67 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.504 1.522 . . . . 0.0 112.362 -173.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -83.57 138.16 33.51 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.601 1.561 . . . . 0.0 107.924 167.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.9 mm -120.34 101.82 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.23 1.012 . . . . 0.0 108.774 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.44 168.89 25.69 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.202 0.906 . . . . 0.0 113.319 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.72 16.14 80.4 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.189 0.899 . . . . 0.0 115.153 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt -65.25 164.49 13.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.766 1.226 . . . . 0.0 112.679 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.8 t -84.38 153.09 23.65 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.991 0.916 . . . . 0.0 111.136 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -67.8 -2.86 7.92 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.985 -1.072 . . . . 0.0 112.889 168.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -101.97 -4.72 25.64 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.007 1.323 . . . . 0.0 113.028 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.4 m -71.96 141.4 49.42 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.56 1.073 . . . . 0.0 110.809 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.6 p -121.98 161.88 22.12 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.438 1.895 . . . . 0.0 110.084 174.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -70.0 -29.32 66.37 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.972 0.509 . . . . 0.0 112.358 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.44 -38.85 92.74 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.653 0.781 . . . . 0.0 110.254 168.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.91 -33.05 78.61 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.92 1.248 . . . . 0.0 112.717 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.33 -50.15 72.75 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.927 1.364 . . . . 0.0 110.96 169.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -56.78 -40.11 75.29 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.73 1.15 . . . . 0.0 111.972 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -60.46 -33.15 72.14 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.772 0.829 . . . . 0.0 112.857 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -88.58 -29.97 19.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.867 1.267 . . . . 0.0 114.355 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.18 -17.36 20.88 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.3 -11.13 58.66 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.573 1.083 . . . . 0.0 114.913 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.8 -15.88 57.85 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.874 1.27 . . . . 0.0 113.217 172.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -100.7 -33.62 10.19 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.55 1.14 . . . . 0.0 111.508 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.89 154.0 11.04 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.032 1.777 . . . . 0.0 111.267 173.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.29 145.0 54.92 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 117.68 0.74 . . . . 0.0 110.622 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.2 m -102.6 133.92 44.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 124.293 1.037 . . . . 0.0 110.897 -171.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -83.43 -22.94 32.5 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.861 2.064 . . . . 0.0 112.834 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -164.71 146.46 8.17 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.138 2.175 . . . . 0.0 108.19 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.3 p -145.59 140.84 27.68 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.777 1.231 . . . . 0.0 110.012 174.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.6 mt -145.22 143.73 30.43 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.334 1.454 . . . . 0.0 111.262 -169.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.5 t -134.34 127.6 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 167.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.9 mmt -85.82 53.19 2.69 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.394 1.078 . . . . 0.0 111.92 -169.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -84.34 151.13 24.93 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -173.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -85.05 129.14 57.26 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 123.847 0.859 . . . . 0.0 109.427 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.79 -15.44 19.06 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.044 2.496 . . . . 0.0 113.678 -174.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.11 -30.0 49.26 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.3 1.04 . . . . 0.0 113.18 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 73.8 p -128.18 -13.6 5.01 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.117 1.767 . . . . 0.0 113.798 -170.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 64.2 6.64 3.05 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.546 2.338 . . . . 0.0 113.919 -174.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.5 mtm105 -53.11 122.24 9.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.605 1.162 . . . . 0.0 109.766 169.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.1 p -88.27 -5.69 58.21 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 63.48 5.1 1.97 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.151 1.78 . . . . 0.0 112.63 -168.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.39 20.05 78.01 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 118.023 -1.432 . . . . 0.0 113.981 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -154.12 159.07 41.31 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.778 1.789 . . . . 0.0 115.437 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.26 -158.63 9.11 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.665 1.602 . . . . 0.0 113.036 173.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -146.17 149.42 33.93 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.593 1.557 . . . . 0.0 110.829 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.2 t -140.36 137.82 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.403 1.081 . . . . 0.0 109.781 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -116.33 136.79 52.69 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.095 1.758 . . . . 0.0 107.391 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -104.09 152.47 22.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.032 0.933 . . . . 0.0 111.77 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.15 -14.5 62.97 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.982 0.913 . . . . 0.0 113.461 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -156.63 153.7 28.99 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.021 1.728 . . . . 0.0 110.931 173.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -62.24 -24.51 67.29 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.213 1.005 . . . . 0.0 112.256 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.62 -19.87 52.08 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.41 -37.57 10.74 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.938 0.79 . . . . 0.0 112.439 170.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.6 t -60.81 -47.74 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.944 0.897 . . . . 0.0 109.518 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.44 -45.72 69.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.732 1.213 . . . . 0.0 112.499 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -68.14 -33.22 74.08 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.81 -39.09 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.171 0.441 . . . . 0.0 110.479 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -71.08 -36.55 72.29 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.195 -0.941 . . . . 0.0 112.216 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.81 -16.55 63.3 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -91.65 142.64 27.4 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.578 1.151 . . . . 0.0 111.507 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 p -79.24 -24.45 43.02 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -170.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -154.19 146.61 23.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.536 1.534 . . . . 0.0 111.581 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -133.66 153.38 51.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.292 1.437 . . . . 0.0 110.981 173.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -157.31 129.34 7.17 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.86 0.864 . . . . 0.0 111.01 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -149.11 127.3 12.08 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.546 1.538 . . . . 0.0 108.539 -175.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 59.06 33.0 22.69 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.503 1.521 . . . . 0.0 112.955 -170.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.7 m 65.07 20.92 12.16 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.666 1.587 . . . . 0.0 113.677 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -113.33 132.34 55.61 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.068 1.747 . . . . 0.0 109.232 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.4 m -66.42 117.99 9.43 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 173.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.0 pt -101.53 156.73 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.417 0.627 . . . . 0.0 110.732 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -129.65 81.44 69.56 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 125.046 1.338 . . . . 0.0 110.626 -173.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -86.45 140.09 6.17 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.901 3.067 . . . . 0.0 111.136 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.58 160.98 40.92 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.418 1.487 . . . . 0.0 111.831 -169.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.35 133.79 27.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 O-C-N 121.443 -0.786 . . . . 0.0 110.522 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.23 136.03 47.79 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.731 0.812 . . . . 0.0 111.174 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -52.48 130.91 44.61 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 123.985 0.914 . . . . 0.0 113.141 -171.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -81.04 178.79 6.52 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 124.426 3.418 . . . . 0.0 111.853 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 94.9 mtm-85 -137.73 140.86 40.94 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.509 1.523 . . . . 0.0 111.12 176.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -76.32 112.39 12.77 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 169.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 60.23 -167.94 0.17 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.609 1.564 . . . . 0.0 111.511 -168.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -140.76 149.08 55.35 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 124.785 1.234 . . . . 0.0 110.652 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -73.17 150.15 47.23 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.523 2.815 . . . . 0.0 111.722 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.781 1.632 . . . . 0.0 111.462 -178.209 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 C5'-C4'-C3' 111.146 -2.903 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.305 1 O4'-C1'-N19 112.626 4.426 . 0.475 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.706 0 O5'-C5'-C4' 113.413 2.295 . 0.165 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.146 1 O4'-C1'-N19 113.215 5.015 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 O4'-C1'-N19 112.186 3.986 . 0.103 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.4 m . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 119.84 -0.124 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -146.28 147.73 31.7 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.021 -1.049 . . . . 0.0 113.694 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mtp -137.94 137.0 37.54 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.811 1.644 . . . . 0.0 112.358 -173.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -83.21 135.7 34.68 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.891 1.676 . . . . 0.0 107.038 167.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.6 mm -116.04 100.79 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.151 0.98 . . . . 0.0 108.52 -173.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.41 164.44 22.19 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.242 0.925 . . . . 0.0 113.453 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.85 15.76 80.82 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.37 0.986 . . . . 0.0 115.105 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.71 166.98 7.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.896 1.278 . . . . 0.0 113.011 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 t -84.52 152.87 23.64 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.913 0.885 . . . . 0.0 110.652 169.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -68.26 -5.46 18.55 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.922 -1.111 . . . . 0.0 112.821 169.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -96.59 -7.57 34.02 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.75 1.22 . . . . 0.0 112.985 169.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -71.54 138.43 48.85 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.597 1.09 . . . . 0.0 110.527 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.8 p -119.83 163.72 17.07 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.978 1.711 . . . . 0.0 109.819 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.92 -24.19 65.17 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.73 -38.56 80.29 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 122.897 0.479 . . . . 0.0 110.247 168.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.6 -34.06 82.78 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.529 1.061 . . . . 0.0 112.5 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.94 -52.38 65.29 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.495 1.147 . . . . 0.0 110.489 169.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -55.8 -39.03 70.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.108 0.867 . . . . 0.0 112.286 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.94 -35.3 76.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.087 0.955 . . . . 0.0 112.944 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.17 -39.39 16.7 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.392 1.077 . . . . 0.0 113.237 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -84.16 -17.06 41.25 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -172.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.37 -10.49 48.6 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.608 1.099 . . . . 0.0 114.39 170.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.17 -25.84 61.84 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.669 1.188 . . . . 0.0 112.444 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -103.08 -38.2 7.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.936 1.294 . . . . 0.0 111.722 -174.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.78 159.79 29.58 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.212 1.387 . . . . 0.0 112.246 174.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.98 128.68 36.87 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.19 0.495 . . . . 0.0 109.973 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 m -85.79 136.91 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.512 0.672 . . . . 0.0 110.889 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -89.59 -22.61 22.26 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.37 1.868 . . . . 0.0 112.936 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -166.62 142.98 4.69 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.511 2.324 . . . . 0.0 107.793 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.1 p -141.12 144.54 34.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.691 1.196 . . . . 0.0 109.911 172.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.9 mt -149.21 144.06 26.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.49 1.116 . . . . 0.0 111.617 -169.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -129.47 126.53 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.133 1.373 . . . . 0.0 107.363 168.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.5 mmt -90.83 43.03 1.13 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.454 1.502 . . . . 0.0 113.011 -168.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -63.68 153.14 37.07 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.726 1.21 . . . . 0.0 113.986 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -78.43 129.63 74.07 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.512 1.125 . . . . 0.0 109.929 170.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.5 -11.25 14.39 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 122.446 2.098 . . . . 0.0 114.229 -173.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.08 -44.84 10.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.556 1.071 . . . . 0.0 111.187 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.9 p -109.76 -8.93 14.86 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.062 1.345 . . . . 0.0 113.579 -171.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 68.12 2.98 3.42 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.568 2.347 . . . . 0.0 113.896 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -58.15 135.04 56.98 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.256 0.935 . . . . 0.0 110.761 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.7 p -76.97 -10.27 59.25 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 60.01 14.03 4.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.917 1.687 . . . . 0.0 112.172 -168.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.45 23.31 78.14 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-O 117.881 -1.51 . . . . 0.0 113.891 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -154.43 159.2 40.94 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.858 1.829 . . . . 0.0 115.842 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.04 -157.57 8.44 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.992 1.758 . . . . 0.0 112.738 173.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -147.35 147.92 30.82 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.691 1.596 . . . . 0.0 110.849 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.9 t -142.25 129.43 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.581 1.153 . . . . 0.0 110.507 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.5 m -104.66 143.75 32.65 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.667 1.987 . . . . 0.0 108.116 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -112.85 151.03 30.91 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.555 1.142 . . . . 0.0 111.491 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -67.17 -15.17 63.55 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.237 1.015 . . . . 0.0 113.463 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -156.26 156.07 33.44 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.163 1.785 . . . . 0.0 110.922 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -62.69 -24.42 67.64 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.556 1.142 . . . . 0.0 112.98 177.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.74 -25.06 62.61 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.19 -37.37 18.48 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.175 0.898 . . . . 0.0 112.636 172.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.7 -48.49 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 123.827 0.851 . . . . 0.0 109.342 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.66 -45.9 66.95 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.888 1.275 . . . . 0.0 112.624 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -66.18 -37.75 86.37 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.5 t -69.85 -29.21 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 122.954 0.502 . . . . 0.0 111.075 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.75 -39.07 37.13 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.318 -0.864 . . . . 0.0 111.973 173.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.39 -26.36 63.66 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -176.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -85.28 135.35 33.95 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.519 1.128 . . . . 0.0 110.744 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -81.14 -11.15 59.52 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -169.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -162.83 147.15 11.53 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.018 1.327 . . . . 0.0 111.729 -173.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -142.73 156.43 45.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.86 1.664 . . . . 0.0 110.641 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -153.81 132.53 12.27 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.964 0.906 . . . . 0.0 111.066 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.1 tp -149.8 129.57 13.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.732 1.613 . . . . 0.0 108.966 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t70 58.11 34.29 24.03 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.682 1.593 . . . . 0.0 112.668 -170.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.6 m 65.65 17.86 11.03 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.87 1.668 . . . . 0.0 113.643 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -114.47 131.7 56.53 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.094 1.757 . . . . 0.0 109.135 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 m -72.62 119.07 16.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.283 1.033 . . . . 0.0 108.701 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.3 pt -103.13 150.28 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.717 0.807 . . . . 0.0 111.038 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -127.86 68.97 76.1 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 125.52 1.528 . . . . 0.0 111.149 -172.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -74.37 148.2 38.0 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.93 3.087 . . . . 0.0 111.918 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -158.43 165.06 35.57 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.045 1.738 . . . . 0.0 111.661 -170.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.92 133.8 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 121.209 -0.932 . . . . 0.0 110.782 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.0 139.25 34.65 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.179 0.992 . . . . 0.0 113.133 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -63.76 146.07 97.15 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 123.936 0.894 . . . . 0.0 109.878 168.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.07 164.94 25.69 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.528 2.818 . . . . 0.0 112.623 -174.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -68.0 138.85 56.2 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.685 0.794 . . . . 0.0 111.585 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -83.12 104.21 13.14 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.47 1.108 . . . . 0.0 108.642 173.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 60.71 -166.94 0.19 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.128 1.771 . . . . 0.0 112.212 -171.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -76.88 136.71 66.44 Favored Pre-proline 0 CA--C 1.547 0.86 0 O-C-N 121.362 -0.836 . . . . 0.0 110.456 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -76.85 166.2 27.31 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.608 2.872 . . . . 0.0 112.652 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.241 1.817 . . . . 0.0 111.626 -178.805 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C5'-C4'-C3' 111.175 -2.884 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.275 1 O4'-C1'-N19 112.378 4.178 . 0.424 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 0 O5'-C5'-C4' 113.739 2.528 . 0.222 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 1 O4'-C1'-N19 113.402 5.202 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 O4'-C4'-C3' 108.168 1.905 . 0.027 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 119.744 -0.17 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -141.25 147.36 38.14 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 120.751 -1.218 . . . . 0.0 113.737 -170.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.6 mtp -140.68 137.73 33.75 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.924 1.69 . . . . 0.0 112.063 -171.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -82.4 138.1 34.54 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.087 1.755 . . . . 0.0 107.741 167.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.3 mm -120.23 99.45 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 124.179 0.992 . . . . 0.0 108.838 -176.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.8 172.0 36.64 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.041 0.829 . . . . 0.0 112.732 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.48 16.51 77.5 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.971 0.796 . . . . 0.0 114.992 171.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.5 163.09 19.29 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.581 1.152 . . . . 0.0 112.156 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.9 t -79.38 152.33 30.44 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.251 0.62 . . . . 0.0 110.906 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -62.52 -12.05 20.08 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.012 -1.055 . . . . 0.0 113.031 168.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.71 -6.71 35.77 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.805 1.242 . . . . 0.0 113.222 174.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 79.9 m -69.77 138.53 52.83 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.616 1.098 . . . . 0.0 110.588 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.6 p -119.59 163.39 17.41 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.056 1.742 . . . . 0.0 109.941 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -68.87 -23.24 64.19 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.21 -36.56 71.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.747 0.419 . . . . 0.0 110.349 168.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.39 -34.29 84.53 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.443 1.02 . . . . 0.0 112.298 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.12 -50.76 71.91 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 118.544 1.172 . . . . 0.0 110.775 169.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -56.88 -39.06 73.65 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.32 0.964 . . . . 0.0 112.228 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.33 -34.62 74.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.132 0.973 . . . . 0.0 112.961 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -87.62 -37.94 16.35 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.482 1.113 . . . . 0.0 113.437 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -86.24 -15.48 40.68 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -173.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.27 -9.74 44.11 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.502 1.049 . . . . 0.0 114.427 170.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -72.89 -25.71 61.17 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.768 1.227 . . . . 0.0 112.555 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -103.51 -32.64 9.37 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.916 1.286 . . . . 0.0 112.224 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.15 166.39 35.87 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.992 1.282 . . . . 0.0 112.496 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.63 127.1 31.51 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.344 -0.504 . . . . 0.0 109.776 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.4 m -86.15 137.63 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.646 0.736 . . . . 0.0 110.939 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -85.92 -26.1 25.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.2 1.8 . . . . 0.0 112.503 175.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -167.44 135.9 2.55 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.47 1.908 . . . . 0.0 108.935 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.1 m -125.76 142.29 51.58 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.975 1.31 . . . . 0.0 109.246 169.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.7 mt -143.9 143.41 31.26 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.796 1.239 . . . . 0.0 111.754 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -132.23 128.89 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.278 1.431 . . . . 0.0 107.753 168.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.8 mmt -89.54 44.6 1.22 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.06 1.344 . . . . 0.0 112.333 -169.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -66.47 150.36 49.06 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.54 128.96 84.81 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 124.868 1.267 . . . . 0.0 109.582 169.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.72 -11.73 12.58 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.594 2.196 . . . . 0.0 114.153 -174.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -91.88 -44.34 8.98 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.367 0.985 . . . . 0.0 110.816 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.8 p -104.37 -9.83 18.21 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.115 0.966 . . . . 0.0 113.157 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 67.66 1.6 2.67 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.377 2.671 . . . . 0.0 114.004 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -61.38 130.64 47.06 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.074 1.349 . . . . 0.0 110.108 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.4 p -71.02 -7.2 44.7 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.29 1.436 . . . . 0.0 114.222 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 64.06 6.19 2.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.442 1.897 . . . . 0.0 112.294 -168.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.64 14.94 81.9 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.235 1.398 . . . . 0.0 114.482 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -156.2 162.47 40.18 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.646 1.723 . . . . 0.0 115.023 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.26 -156.07 7.75 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 125.791 1.663 . . . . 0.0 112.941 172.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -146.27 149.89 34.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.684 1.594 . . . . 0.0 111.031 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.5 t -141.33 135.36 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.5 1.12 . . . . 0.0 110.182 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 m -116.21 141.38 48.22 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.927 2.091 . . . . 0.0 108.099 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -109.99 154.56 22.99 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.529 1.132 . . . . 0.0 112.119 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.7 mmt -68.31 -19.42 64.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.049 0.94 . . . . 0.0 113.125 171.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -148.72 146.25 28.01 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.542 1.937 . . . . 0.0 110.793 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -64.09 -21.68 66.63 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.702 0.801 . . . . 0.0 112.369 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.95 -24.67 62.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.525 1.13 . . . . 0.0 113.873 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.14 -38.01 16.62 Favored Glycine 0 N--CA 1.47 0.952 0 CA-C-N 119.224 0.92 . . . . 0.0 112.426 171.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.63 -47.93 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.748 0.819 . . . . 0.0 109.497 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -52.3 -46.61 66.0 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.825 1.25 . . . . 0.0 112.737 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -64.88 -38.37 90.75 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.1 -29.28 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 122.931 0.492 . . . . 0.0 111.118 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.93 -38.59 36.87 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.321 -0.862 . . . . 0.0 111.967 173.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.38 -24.6 62.98 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -176.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -85.93 135.67 33.58 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.528 1.131 . . . . 0.0 110.685 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -82.25 -9.85 59.34 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -169.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -162.48 145.59 11.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.014 1.326 . . . . 0.0 111.692 -173.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -143.54 153.84 43.0 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.708 1.603 . . . . 0.0 110.691 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -153.51 132.85 12.77 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.015 0.926 . . . . 0.0 110.919 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.3 tp -149.53 130.2 14.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.684 1.594 . . . . 0.0 109.067 -177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 57.26 35.4 26.08 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.682 1.593 . . . . 0.0 112.596 -170.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.4 m 65.49 19.25 11.51 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.683 1.593 . . . . 0.0 113.558 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -117.77 132.98 56.39 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.818 1.647 . . . . 0.0 109.552 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.5 m -74.6 116.83 15.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.475 1.11 . . . . 0.0 108.714 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.1 pt -98.94 158.83 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.655 0.782 . . . . 0.0 111.485 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -128.21 79.18 74.39 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.706 1.602 . . . . 0.0 110.564 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -87.97 134.88 3.22 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.908 3.072 . . . . 0.0 110.61 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -159.33 162.71 35.98 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.088 1.355 . . . . 0.0 112.279 -168.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.26 132.43 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.923 0.889 . . . . 0.0 111.228 -171.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.01 136.85 39.97 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.867 0.867 . . . . 0.0 111.678 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -56.26 139.73 72.67 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.0 0.92 . . . . 0.0 112.002 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -72.16 164.14 36.56 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.855 3.037 . . . . 0.0 112.612 -174.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -151.14 -176.43 5.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.124 1.77 . . . . 0.0 111.831 -175.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -140.36 149.88 43.25 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.571 1.548 . . . . 0.0 111.5 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -163.58 163.95 24.35 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.588 1.955 . . . . 0.0 111.174 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -83.2 158.63 63.78 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 123.872 0.869 . . . . 0.0 112.13 175.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.94 155.21 57.86 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.811 2.34 . . . . 0.0 110.336 168.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.613 1.565 . . . . 0.0 111.577 -177.538 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.392 0 O4'-C4'-C3' 108.701 2.287 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.108 0 O4'-C1'-N19 111.906 3.706 . 0.087 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 O5'-C5'-C4' 113.39 2.279 . 0.206 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 1 O4'-C1'-N19 112.723 4.523 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.381 0 O4'-C1'-N19 110.899 2.699 . 0.231 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.8 tttt 143.32 139.02 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.485 1 C-N-CA 131.918 4.087 . . . . 0.0 111.211 169.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.3 mtp -140.75 137.51 33.47 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.878 1.671 . . . . 0.0 112.246 -170.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -82.29 138.09 34.66 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.068 1.747 . . . . 0.0 107.973 168.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.6 mm -119.87 98.65 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.304 1.041 . . . . 0.0 108.788 -175.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.45 168.87 31.12 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 124.006 0.812 . . . . 0.0 113.333 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.85 16.41 80.43 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.138 0.875 . . . . 0.0 115.063 172.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.38 159.78 26.15 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.505 1.122 . . . . 0.0 112.71 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.4 t -76.97 149.21 35.97 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.152 0.981 . . . . 0.0 110.61 168.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -64.03 -7.88 9.99 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.886 -1.134 . . . . 0.0 114.005 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -95.35 -2.37 49.3 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.558 1.143 . . . . 0.0 112.752 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.3 m -72.2 142.74 49.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.205 1.002 . . . . 0.0 111.107 -173.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -121.22 159.1 26.64 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.71 1.604 . . . . 0.0 109.774 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.97 -26.4 65.02 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.59 -34.95 76.67 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 122.025 -0.422 . . . . 0.0 110.611 168.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.86 -34.44 82.51 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.644 1.116 . . . . 0.0 112.443 172.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.8 -49.75 75.09 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.651 1.225 . . . . 0.0 110.723 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -57.73 -37.9 74.38 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.114 0.87 . . . . 0.0 112.286 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.58 -36.09 77.66 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.655 0.782 . . . . 0.0 112.8 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -84.31 -42.26 15.99 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.48 1.112 . . . . 0.0 113.324 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -82.33 -22.47 35.57 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.47 -12.85 57.31 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.139 1.352 . . . . 0.0 114.002 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -75.13 -20.21 59.52 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.525 1.13 . . . . 0.0 112.361 173.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -97.93 -42.08 7.7 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.414 1.486 . . . . 0.0 110.927 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.03 155.14 15.33 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.37 1.462 . . . . 0.0 112.326 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.48 146.08 52.54 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 117.491 0.646 . . . . 0.0 111.516 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 m -103.22 133.15 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.655 1.182 . . . . 0.0 111.413 -172.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -80.11 -25.82 39.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.848 2.459 . . . . 0.0 112.517 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -161.33 146.43 13.74 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.539 1.936 . . . . 0.0 108.717 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.5 p -149.15 142.52 25.21 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.775 1.23 . . . . 0.0 110.382 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -147.74 144.27 28.15 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.66 1.584 . . . . 0.0 111.094 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.3 t -125.87 121.69 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 166.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.7 mmm -87.82 52.67 2.54 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.195 0.998 . . . . 0.0 112.251 -168.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -73.62 153.72 40.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.663 1.185 . . . . 0.0 113.939 -170.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.77 129.67 88.0 Favored Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 124.91 1.284 . . . . 0.0 109.788 169.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -80.11 -10.53 13.8 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 122.12 1.88 . . . . 0.0 114.15 -172.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -89.17 -41.66 12.12 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.869 1.213 . . . . 0.0 111.348 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.2 p -108.12 -13.08 15.0 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.246 1.418 . . . . 0.0 113.5 -172.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 65.92 4.22 2.9 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.725 2.41 . . . . 0.0 113.634 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.87 126.53 27.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.294 1.838 . . . . 0.0 110.135 171.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.5 p -67.68 -7.28 25.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.974 1.31 . . . . 0.0 114.37 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 61.46 8.29 2.14 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.78 1.632 . . . . 0.0 112.13 -168.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.49 18.23 79.91 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-O 117.799 -1.556 . . . . 0.0 114.475 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -155.25 159.37 40.0 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 120.021 1.91 . . . . 0.0 115.476 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -150.07 -162.18 10.34 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 126.027 1.775 . . . . 0.0 112.984 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -144.96 147.95 33.27 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.658 1.583 . . . . 0.0 110.804 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.4 t -143.31 139.78 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.76 1.224 . . . . 0.0 110.205 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.1 m -122.18 138.16 54.57 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.734 1.614 . . . . 0.0 108.14 172.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -96.6 155.23 16.86 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.203 1.001 . . . . 0.0 112.279 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.29 -15.65 60.59 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 173.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -153.39 156.21 37.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.348 1.859 . . . . 0.0 110.443 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -57.83 -27.86 63.55 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.42 1.088 . . . . 0.0 112.703 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.75 -28.48 56.12 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.66 -31.54 60.42 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-N 119.134 0.879 . . . . 0.0 112.942 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.24 -46.52 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-N 117.852 0.826 . . . . 0.0 109.218 171.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.49 -44.24 76.36 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.959 0.904 . . . . 0.0 112.153 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -64.33 -34.68 78.71 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.843 0.857 . . . . 0.0 113.161 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.78 -42.96 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 122.865 0.466 . . . . 0.0 110.953 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.34 -35.06 78.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.221 0.608 . . . . 0.0 112.326 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.34 -9.09 45.55 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -108.52 136.49 48.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.93 1.292 . . . . 0.0 110.588 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.1 m -84.4 -8.67 58.9 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -168.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -162.44 146.52 11.87 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.155 1.382 . . . . 0.0 111.463 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -143.71 156.06 44.41 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.615 1.566 . . . . 0.0 110.809 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.34 133.26 12.33 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.073 0.949 . . . . 0.0 110.827 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.1 tp -149.53 129.47 13.43 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.587 1.555 . . . . 0.0 109.129 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.2 t70 58.07 36.88 26.35 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.709 1.604 . . . . 0.0 112.621 -172.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.5 m 66.23 18.88 11.03 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.872 1.669 . . . . 0.0 113.67 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -119.0 130.49 55.71 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.047 1.739 . . . . 0.0 109.376 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.9 m -71.86 118.64 14.96 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.399 1.08 . . . . 0.0 108.69 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.1 pt -101.78 158.46 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.832 0.853 . . . . 0.0 111.123 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -131.82 82.08 61.24 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 125.291 1.436 . . . . 0.0 110.39 -173.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -87.0 140.85 5.91 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.765 2.977 . . . . 0.0 111.266 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -156.56 162.43 39.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.512 1.525 . . . . 0.0 112.172 -169.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.37 133.76 26.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.355 -0.84 . . . . 0.0 110.542 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.71 139.26 37.4 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.983 0.913 . . . . 0.0 113.268 -175.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -62.43 146.57 93.23 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 124.349 1.06 . . . . 0.0 110.277 168.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -61.89 165.28 14.47 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.16 3.24 . . . . 0.0 113.095 -174.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.72 146.62 50.97 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.886 1.274 . . . . 0.0 113.29 -168.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -144.69 100.11 3.46 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.554 1.942 . . . . 0.0 110.142 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -171.06 165.12 7.5 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.136 2.174 . . . . 0.0 110.742 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -127.31 145.15 53.29 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.942 1.297 . . . . 0.0 110.312 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.52 114.68 4.1 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 123.289 2.659 . . . . 0.0 109.83 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.815 1.646 . . . . 0.0 111.63 -172.818 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C5'-C4'-C3' 111.094 -2.937 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 1 O4'-C1'-N19 112.412 4.212 . 0.483 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 O5'-C5'-C4' 113.032 2.023 . 0.211 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 1 O4'-C1'-N19 114.832 6.632 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.308 0 O4'-C1'-N19 111.162 2.962 . 0.058 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -109.95 144.73 38.06 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.984 1.72 . . . . 0.0 113.105 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.9 mtp -140.1 137.64 34.66 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.176 1.79 . . . . 0.0 112.203 -173.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -81.72 138.32 35.24 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.894 1.677 . . . . 0.0 107.702 167.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mm -120.57 99.93 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.185 0.994 . . . . 0.0 108.941 -176.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.06 169.89 32.6 Favored Glycine 0 N--CA 1.471 0.972 0 C-N-CA 123.953 0.787 . . . . 0.0 113.106 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.45 15.48 81.19 Favored Glycine 0 CA--C 1.535 1.327 0 N-CA-C 115.303 0.881 . . . . 0.0 115.303 170.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.63 166.75 12.27 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.92 1.288 . . . . 0.0 112.411 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.2 t -79.48 151.23 30.92 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.302 0.641 . . . . 0.0 110.784 169.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -59.67 -7.38 1.51 Allowed 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 170.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -120.96 10.37 10.81 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.605 1.562 . . . . 0.0 113.127 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.1 m -67.27 142.08 57.01 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.232 0.924 . . . . 0.0 109.912 169.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.9 p -118.86 160.04 22.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.561 1.545 . . . . 0.0 110.331 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.95 -25.04 64.35 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.87 -36.57 75.59 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.981 -0.449 . . . . 0.0 110.392 168.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.92 -33.84 85.23 Favored Glycine 0 C--N 1.343 0.941 0 C-N-CA 124.468 1.032 . . . . 0.0 112.432 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.45 -50.82 71.24 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.589 1.194 . . . . 0.0 110.935 169.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.94 -39.58 74.81 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.323 0.965 . . . . 0.0 112.14 175.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.06 -34.89 74.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.966 0.906 . . . . 0.0 112.872 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -85.38 -41.46 15.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.344 1.058 . . . . 0.0 113.351 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -82.4 -19.04 39.88 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.61 -9.97 47.19 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.634 1.111 . . . . 0.0 114.317 171.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.34 -27.04 64.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.648 1.179 . . . . 0.0 112.29 170.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -101.04 -35.22 9.43 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.478 1.511 . . . . 0.0 111.382 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.51 153.0 10.5 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 125.95 1.738 . . . . 0.0 111.544 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.09 148.67 35.0 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.603 0.701 . . . . 0.0 110.7 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 m -107.04 133.53 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.52 1.128 . . . . 0.0 111.538 -170.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -78.26 -27.26 47.49 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.451 2.301 . . . . 0.0 112.364 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -163.25 145.62 10.08 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.867 2.067 . . . . 0.0 108.656 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.13 144.29 29.88 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.75 1.22 . . . . 0.0 110.324 171.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -147.37 147.3 30.15 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.401 1.48 . . . . 0.0 111.177 -172.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -133.75 125.76 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 167.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.5 mmt -85.1 51.57 2.21 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.275 1.43 . . . . 0.0 112.382 -169.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -74.18 147.18 42.82 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.302 1.441 . . . . 0.0 113.977 -173.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.74 130.86 80.53 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.268 1.427 . . . . 0.0 110.353 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.77 -10.6 11.72 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.484 2.123 . . . . 0.0 114.493 -173.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.78 -35.18 15.0 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.61 1.096 . . . . 0.0 111.779 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.8 p -115.78 -12.01 11.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.111 1.365 . . . . 0.0 113.425 -172.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.04 6.14 3.32 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.586 2.355 . . . . 0.0 113.441 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -58.88 123.48 16.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.09 1.756 . . . . 0.0 110.083 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.6 p -71.39 -8.62 54.99 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 64.35 5.93 2.81 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.364 1.866 . . . . 0.0 112.703 -168.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.83 15.17 79.8 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-O 118.07 -1.406 . . . . 0.0 114.51 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -156.93 162.51 39.63 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.819 1.81 . . . . 0.0 114.959 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.01 -156.54 7.94 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.721 1.629 . . . . 0.0 113.177 173.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -145.75 150.76 36.83 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.621 1.568 . . . . 0.0 110.953 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.8 t -142.53 137.97 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.844 1.258 . . . . 0.0 109.937 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.5 m -116.97 136.15 53.16 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.558 1.543 . . . . 0.0 108.156 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -96.59 153.65 17.73 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.053 0.941 . . . . 0.0 112.179 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 99.3 mmm -67.5 -14.9 63.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.841 0.856 . . . . 0.0 113.23 173.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -154.73 154.01 32.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.299 1.839 . . . . 0.0 110.665 171.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -60.58 -25.25 66.07 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.589 1.156 . . . . 0.0 112.999 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.25 -23.56 56.41 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.22 -34.71 28.84 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 118.961 0.8 . . . . 0.0 112.731 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.29 -47.49 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 117.89 0.845 . . . . 0.0 109.303 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.14 -45.29 61.6 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.203 1.001 . . . . 0.0 112.65 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -66.77 -37.7 85.12 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.13 -31.66 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.34 0.656 . . . . 0.0 111.209 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.49 -38.25 55.57 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.274 -0.891 . . . . 0.0 111.978 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.37 -16.07 62.4 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -95.01 137.65 33.78 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.76 1.224 . . . . 0.0 111.147 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.2 m -80.63 -10.49 59.73 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -169.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -162.57 147.96 12.36 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.4 1.48 . . . . 0.0 111.551 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.01 155.0 49.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.746 1.618 . . . . 0.0 110.551 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -152.82 131.86 12.61 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.198 0.999 . . . . 0.0 110.372 -173.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.3 tp -153.71 131.87 11.87 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.366 1.466 . . . . 0.0 109.118 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 58.5 38.73 25.47 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.476 1.51 . . . . 0.0 112.58 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.1 m 66.88 23.13 10.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.079 1.752 . . . . 0.0 113.675 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -130.81 134.68 47.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.2 1.8 . . . . 0.0 109.846 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.0 m -67.26 118.09 10.17 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.562 1.145 . . . . 0.0 108.343 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.5 pt -100.07 156.32 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.398 0.618 . . . . 0.0 110.995 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -130.09 80.39 71.02 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 125.403 1.481 . . . . 0.0 110.48 -173.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -86.4 139.83 6.11 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 123.779 2.986 . . . . 0.0 111.186 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -155.45 162.2 40.8 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.542 1.537 . . . . 0.0 111.87 -170.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.0 t -61.03 132.37 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 121.287 -0.883 . . . . 0.0 110.503 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.01 140.3 40.33 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.815 0.846 . . . . 0.0 112.054 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -57.84 126.38 76.33 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-O 118.608 -0.711 . . . . 0.0 109.76 170.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.69 140.53 29.53 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.514 2.809 . . . . 0.0 112.043 -169.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -139.73 17.71 2.51 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.805 1.642 . . . . 0.0 112.559 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -68.48 134.88 50.78 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.341 1.456 . . . . 0.0 111.481 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.56 161.97 40.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.438 1.895 . . . . 0.0 110.697 173.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -161.66 151.57 14.07 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.931 1.692 . . . . 0.0 110.676 -173.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.87 139.2 39.29 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.02 2.48 . . . . 0.0 110.67 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.576 1.55 . . . . 0.0 111.551 -175.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C5'-C4'-C3' 111.266 -2.822 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.466 1 O4'-C1'-N19 112.548 4.348 . 0.525 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 O5'-C5'-C4' 113.353 2.252 . 0.213 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 1 O4'-C1'-N19 114.119 5.919 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 O4'-C1'-N19 111.268 3.068 . 0.156 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.3 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 119.771 -0.157 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -145.48 147.33 32.05 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.688 -1.257 . . . . 0.0 113.109 -172.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.5 mtp -137.88 136.81 37.45 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.598 1.559 . . . . 0.0 111.946 -175.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -84.5 131.76 34.61 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 125.85 1.66 . . . . 0.0 107.505 168.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.4 HG22 HD21 ' A' ' 27' ' ' LEU . 13.0 mm -113.36 95.13 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 123.987 0.915 . . . . 0.0 108.583 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.39 165.33 27.47 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 123.959 0.79 . . . . 0.0 112.979 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.15 18.27 79.46 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.185 0.897 . . . . 0.0 114.962 172.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.4 HD21 HG22 ' A' ' 24' ' ' ILE . 81.0 mt -66.13 164.59 15.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.601 1.161 . . . . 0.0 112.641 -179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.4 t -79.32 150.97 31.31 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.179 0.592 . . . . 0.0 110.3 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -59.04 -17.49 26.02 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.924 -1.11 . . . . 0.0 113.302 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -94.81 -7.56 39.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.831 1.652 . . . . 0.0 113.138 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.3 m -67.67 139.57 56.78 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.684 1.129 . . . . 0.0 110.821 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.0 p -121.72 163.31 19.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.203 1.801 . . . . 0.0 110.172 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.53 -25.32 64.87 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.29 -37.26 77.74 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.986 -0.446 . . . . 0.0 110.339 168.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.25 -34.1 84.64 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.395 0.998 . . . . 0.0 112.456 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.93 -52.99 62.69 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 118.673 1.237 . . . . 0.0 110.809 169.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -54.88 -40.09 69.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.405 1.002 . . . . 0.0 112.365 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -59.28 -35.42 73.72 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.033 0.933 . . . . 0.0 112.934 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -88.23 -41.68 12.78 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.387 1.075 . . . . 0.0 113.243 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -83.05 -23.92 32.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.559 1.144 . . . . 0.0 113.923 -172.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 -12.66 56.59 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.586 1.088 . . . . 0.0 113.971 172.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -77.26 -20.43 55.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.759 1.223 . . . . 0.0 112.696 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -98.23 -34.17 10.82 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.94 1.296 . . . . 0.0 111.975 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.74 154.72 13.19 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 127.192 2.329 . . . . 0.0 110.544 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -64.27 138.5 58.47 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.378 1.089 . . . . 0.0 111.143 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -91.76 129.63 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.943 1.297 . . . . 0.0 110.184 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -80.01 -25.9 40.08 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.268 1.827 . . . . 0.0 112.291 173.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -162.13 147.18 12.76 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.002 1.721 . . . . 0.0 109.118 -177.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.3 p -142.92 143.51 32.04 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.585 1.154 . . . . 0.0 110.386 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.7 mt -145.95 143.75 29.71 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.074 1.35 . . . . 0.0 111.322 -174.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.1 t -134.13 129.72 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.464 1.506 . . . . 0.0 107.646 168.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.3 mmt -91.83 42.49 1.1 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.17 1.388 . . . . 0.0 112.577 -169.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -63.24 145.89 54.58 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -173.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -79.87 128.57 73.67 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 124.156 0.982 . . . . 0.0 110.561 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.0 -14.06 21.23 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 122.707 2.271 . . . . 0.0 113.523 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.98 -26.48 48.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.238 1.015 . . . . 0.0 113.022 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 p -135.35 -11.21 2.17 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.252 1.421 . . . . 0.0 113.764 -170.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 64.29 4.44 2.15 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.943 2.497 . . . . 0.0 113.997 -176.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -61.34 131.19 49.5 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.242 1.017 . . . . 0.0 110.577 171.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.2 p -67.19 -9.22 37.99 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.961 1.704 . . . . 0.0 114.717 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 67.4 6.4 4.87 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.816 2.046 . . . . 0.0 112.567 -168.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.86 16.09 81.06 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-O 118.144 -1.365 . . . . 0.0 113.955 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -155.31 161.14 41.17 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.601 1.701 . . . . 0.0 115.404 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.23 -157.03 8.32 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 125.39 1.471 . . . . 0.0 112.894 169.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -144.69 148.94 34.82 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.346 1.458 . . . . 0.0 111.119 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.44 129.66 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.926 0.89 . . . . 0.0 109.968 172.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.4 m -105.46 139.9 39.39 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.7 1.6 . . . . 0.0 107.635 170.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -107.5 151.81 25.07 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.973 1.309 . . . . 0.0 111.367 -178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.6 mtp -73.98 -6.98 50.66 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.168 0.987 . . . . 0.0 113.414 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -156.74 154.42 29.97 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.111 2.165 . . . . 0.0 111.388 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -76.67 -22.57 53.84 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.795 -0.566 . . . . 0.0 112.105 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.17 -25.16 68.22 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.32 -35.82 22.37 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-N 119.823 1.192 . . . . 0.0 112.644 170.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.0 t -59.41 -46.72 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 117.96 0.88 . . . . 0.0 109.452 172.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -51.99 -47.76 64.74 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.078 1.351 . . . . 0.0 112.793 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -65.55 -35.87 82.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.84 -27.37 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.059 0.544 . . . . 0.0 111.276 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.0 mt -80.23 -38.7 30.52 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.063 -1.023 . . . . 0.0 111.733 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.4 -25.97 61.69 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -175.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -84.92 138.27 32.61 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.394 1.078 . . . . 0.0 111.435 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -82.79 -4.14 57.58 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -169.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -161.96 144.99 11.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.586 1.554 . . . . 0.0 111.157 -175.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -139.29 149.37 44.19 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.1 1.36 . . . . 0.0 110.937 173.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -153.31 130.73 11.35 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.964 0.906 . . . . 0.0 110.834 -171.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.6 tp -151.82 133.55 14.82 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.795 1.638 . . . . 0.0 108.855 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.8 t70 59.45 29.45 19.01 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.381 1.473 . . . . 0.0 112.46 -171.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 m 65.42 19.44 11.59 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.283 1.833 . . . . 0.0 113.827 -175.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -114.28 139.25 49.57 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.626 1.57 . . . . 0.0 109.806 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.2 m -72.83 117.94 15.16 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.5 pt -103.22 154.27 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.392 0.677 . . . . 0.0 111.18 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -128.79 67.4 77.34 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 125.171 1.388 . . . . 0.0 111.786 -171.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.2 146.24 28.3 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 124.096 3.197 . . . . 0.0 111.786 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -157.35 163.66 38.4 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.277 1.431 . . . . 0.0 112.428 -171.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.0 t -59.63 133.05 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 124.222 1.009 . . . . 0.0 110.717 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.06 144.2 27.68 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -176.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -60.54 145.84 86.43 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.208 1.003 . . . . 0.0 109.992 167.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.13 141.65 44.26 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.005 2.47 . . . . 0.0 111.488 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.57 141.69 46.64 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.262 1.025 . . . . 0.0 111.346 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -62.55 143.1 57.61 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.406 1.082 . . . . 0.0 111.542 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.95 140.41 57.77 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.617 0.767 . . . . 0.0 110.188 168.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -144.91 149.52 42.89 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.363 1.465 . . . . 0.0 110.218 -169.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -77.9 147.63 24.38 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.626 2.884 . . . . 0.0 111.731 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.273 2.229 . . . . 0.0 112.433 175.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C4'-C3' 108.914 2.439 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.201 0 O4'-C1'-N19 111.651 3.451 . 0.029 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.516 0 O5'-C5'-C4' 114.033 2.738 . 0.239 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.386 1 O4'-C1'-N19 113.45 5.25 . 0.579 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 O4'-C1'-N19 111.591 3.391 . 0.135 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 119.846 -0.121 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -147.01 148.88 32.14 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.849 -1.157 . . . . 0.0 114.098 -171.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 71.1 mtp -139.2 137.77 36.3 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.864 1.665 . . . . 0.0 112.494 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -81.68 140.03 34.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.818 1.647 . . . . 0.0 107.399 167.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.1 mm -122.68 99.1 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.96 0.904 . . . . 0.0 109.103 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.54 168.92 32.34 Favored Glycine 0 N--CA 1.47 0.954 0 C-N-CA 124.055 0.836 . . . . 0.0 112.883 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.01 16.21 80.84 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 171.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.19 162.25 20.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.785 1.234 . . . . 0.0 112.558 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.9 t -76.91 147.96 36.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.094 0.958 . . . . 0.0 110.954 169.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -59.23 -16.18 19.56 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -109.64 9.93 24.99 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.561 1.544 . . . . 0.0 113.048 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.5 m -65.82 141.94 58.11 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.124 0.969 . . . . 0.0 110.09 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.5 p -118.57 160.21 22.19 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.257 1.423 . . . . 0.0 109.968 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -69.38 -22.95 63.68 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.0 -35.94 72.27 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.849 0.459 . . . . 0.0 110.351 167.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.44 -34.11 78.75 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.532 1.063 . . . . 0.0 112.453 172.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.91 -50.62 71.42 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 118.701 1.251 . . . . 0.0 110.49 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -55.23 -39.84 70.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.315 0.961 . . . . 0.0 112.27 175.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -61.02 -35.68 77.51 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.169 0.987 . . . . 0.0 112.909 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -86.5 -35.97 19.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.701 1.2 . . . . 0.0 113.527 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -88.89 -14.14 37.51 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -173.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.34 -10.12 46.51 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.469 1.033 . . . . 0.0 114.045 169.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -71.02 -25.62 62.75 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.826 1.251 . . . . 0.0 112.49 172.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -105.83 -28.98 10.31 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.678 1.191 . . . . 0.0 112.877 -172.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.83 165.78 32.83 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 125.282 1.42 . . . . 0.0 112.435 176.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.54 124.81 24.61 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 122.274 -0.545 . . . . 0.0 109.909 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -85.74 147.35 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.499 0.72 . . . . 0.0 111.292 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -103.27 -16.28 15.72 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.672 1.989 . . . . 0.0 113.775 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -147.37 -85.02 0.1 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.947 0.899 . . . . 0.0 112.407 -170.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.3 m 70.22 130.37 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 128.385 2.674 . . . . 0.0 112.577 -169.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.7 mt -147.94 145.47 28.6 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.531 1.532 . . . . 0.0 111.108 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.93 126.74 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 168.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.5 mmt -86.06 49.11 1.72 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.271 1.428 . . . . 0.0 112.299 -170.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -71.57 148.47 46.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.274 1.43 . . . . 0.0 113.516 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -84.14 126.64 69.39 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.527 1.131 . . . . 0.0 110.163 172.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.97 -13.96 21.33 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.596 2.197 . . . . 0.0 113.757 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.33 -25.65 51.33 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.98 . . . . 0.0 113.037 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -135.97 -10.99 2.01 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.413 1.485 . . . . 0.0 113.716 -170.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.51 6.53 2.58 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.822 2.449 . . . . 0.0 113.677 -175.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -58.97 128.99 40.0 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.985 1.314 . . . . 0.0 110.562 171.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -74.31 -7.36 52.53 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.95 1.3 . . . . 0.0 114.436 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 63.23 5.07 1.82 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.261 1.824 . . . . 0.0 112.758 -168.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.63 15.88 80.83 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-O 118.228 -1.318 . . . . 0.0 114.349 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -157.02 161.53 39.54 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.66 1.73 . . . . 0.0 114.747 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.4 -154.21 6.99 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.679 1.609 . . . . 0.0 112.827 173.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -147.13 151.44 36.82 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.777 1.631 . . . . 0.0 111.087 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.36 131.31 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.491 1.116 . . . . 0.0 110.063 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -111.39 143.67 41.84 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.837 2.055 . . . . 0.0 107.464 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -115.57 153.75 30.64 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.584 1.154 . . . . 0.0 112.004 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.8 mmt -68.7 -14.63 63.15 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.203 1.001 . . . . 0.0 113.494 174.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -155.33 154.56 32.24 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.238 1.815 . . . . 0.0 110.55 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -62.8 -25.21 68.12 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.387 1.075 . . . . 0.0 112.544 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.1 -19.67 54.47 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.82 -23.9 31.71 Favored Glycine 0 CA--C 1.53 1.021 0 CA-C-N 119.705 1.139 . . . . 0.0 113.51 170.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.4 t -67.83 -45.61 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 118.434 1.117 . . . . 0.0 108.535 169.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.4 -47.98 62.76 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.417 1.487 . . . . 0.0 112.929 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -65.21 -35.51 81.27 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.35 -29.94 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.219 0.607 . . . . 0.0 111.306 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.6 mt -77.9 -38.2 46.26 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 121.45 -0.781 . . . . 0.0 111.901 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.31 -21.47 62.06 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -90.21 138.66 31.34 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.999 1.32 . . . . 0.0 110.996 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.2 m -84.43 -12.0 55.18 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.888 1.811 . . . . 0.0 115.888 -169.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -163.18 147.07 10.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.032 1.333 . . . . 0.0 111.807 -174.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -143.07 151.86 41.23 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.971 1.708 . . . . 0.0 109.877 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -151.71 127.8 10.43 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.231 -0.918 . . . . 0.0 110.635 -174.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.66 125.23 15.78 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.273 1.429 . . . . 0.0 109.305 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.9 t70 58.34 42.1 22.06 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.005 1.722 . . . . 0.0 112.652 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 m 67.23 20.41 10.16 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.913 1.685 . . . . 0.0 113.888 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -125.19 127.91 47.53 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.21 1.804 . . . . 0.0 109.064 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.1 m -71.5 120.84 17.65 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.8 pt -99.94 158.49 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 123.832 0.853 . . . . 0.0 110.892 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -130.91 82.89 62.81 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.483 1.513 . . . . 0.0 110.044 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -83.52 143.93 11.15 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.342 2.695 . . . . 0.0 111.471 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -141.61 159.43 42.23 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.675 1.99 . . . . 0.0 110.888 -169.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.52 132.05 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 121.076 -1.015 . . . . 0.0 109.402 170.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.63 140.34 38.44 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.563 0.745 . . . . 0.0 112.894 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -63.1 158.46 55.04 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.282 1.033 . . . . 0.0 111.301 169.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -53.23 164.26 1.94 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 124.61 3.54 . . . . 0.0 115.271 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -138.64 165.08 27.84 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.888 1.275 . . . . 0.0 113.733 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -141.56 127.96 19.98 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.233 1.813 . . . . 0.0 109.958 175.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -155.94 140.49 16.88 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.803 2.041 . . . . 0.0 109.05 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -161.94 138.58 6.15 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.303 1.041 . . . . 0.0 110.107 -169.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.89 131.6 17.2 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.492 2.794 . . . . 0.0 110.448 174.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.79 1.636 . . . . 0.0 111.692 -176.071 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 0 C5'-C4'-C3' 111.172 -2.885 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.425 1 O4'-C1'-N19 112.65 4.45 . 0.533 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.527 0 O5'-C5'-C4' 113.339 2.242 . 0.216 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 1 O4'-C1'-N19 113.964 5.764 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.302 1 O4'-C1'-N19 112.428 4.228 . 0.0 OUTLIER '7D dist 1z' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.7 m . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 119.779 -0.153 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -147.38 147.34 30.19 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.913 -1.117 . . . . 0.0 113.562 -174.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.6 mtp -138.16 134.56 34.7 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.657 1.583 . . . . 0.0 111.945 -173.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -82.33 134.89 35.28 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.838 1.655 . . . . 0.0 107.171 168.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.2 mm -116.1 98.59 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.122 0.969 . . . . 0.0 108.488 -173.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.28 166.01 30.49 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.868 0.747 . . . . 0.0 112.968 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.52 16.55 78.95 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-O 119.041 -0.866 . . . . 0.0 114.98 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.33 163.86 6.11 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.612 1.206 . . . . 0.0 112.358 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.4 t -78.55 151.78 32.26 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.974 0.509 . . . . 0.0 110.723 169.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -61.27 -14.81 29.16 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.008 -1.057 . . . . 0.0 113.38 169.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -102.4 1.19 35.06 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.368 1.467 . . . . 0.0 113.418 176.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 m -71.53 139.66 49.58 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.666 1.121 . . . . 0.0 110.114 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 p -119.74 162.43 19.06 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.915 1.686 . . . . 0.0 110.238 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.25 -22.97 63.8 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.7 -36.56 70.6 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.824 0.45 . . . . 0.0 110.279 168.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.43 -34.07 83.67 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.444 1.021 . . . . 0.0 112.418 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.8 -52.71 63.94 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.6 1.2 . . . . 0.0 110.551 169.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -55.15 -39.44 69.47 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.259 0.936 . . . . 0.0 112.409 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.67 -34.85 74.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.214 1.005 . . . . 0.0 112.979 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -88.28 -38.78 14.92 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.576 1.15 . . . . 0.0 113.289 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -85.29 -15.38 43.59 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -172.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.25 -8.92 46.76 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.614 1.102 . . . . 0.0 114.416 170.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.59 -26.8 60.16 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.726 1.211 . . . . 0.0 112.562 174.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.73 -36.39 9.13 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.293 1.037 . . . . 0.0 112.527 -171.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.72 173.64 44.53 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 126.392 1.949 . . . . 0.0 111.568 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -79.35 120.47 23.83 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 117.781 0.79 . . . . 0.0 109.747 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 m -78.81 145.21 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-O 121.239 0.543 . . . . 0.0 111.36 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -103.77 -29.35 11.09 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.014 1.726 . . . . 0.0 113.397 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -168.16 102.51 0.45 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.364 1.465 . . . . 0.0 109.147 -169.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 59.8 m -101.8 141.45 34.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.449 1.5 . . . . 0.0 110.117 174.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -144.67 147.28 32.86 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.574 1.15 . . . . 0.0 112.116 -177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.9 t -132.7 129.96 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.446 1.498 . . . . 0.0 107.911 168.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.2 mmt -93.96 45.66 1.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.27 1.428 . . . . 0.0 112.261 -169.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 -64.34 151.56 43.59 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -173.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -75.07 136.03 73.22 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.303 1.441 . . . . 0.0 109.934 170.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -83.01 -14.02 8.82 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.574 2.182 . . . . 0.0 113.912 -175.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.5 mt -93.1 -44.66 8.27 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.889 1.276 . . . . 0.0 111.212 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.7 p -101.3 -11.56 19.37 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.415 1.086 . . . . 0.0 112.844 -175.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 mptt 66.89 -1.45 1.37 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.97 2.508 . . . . 0.0 113.712 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.72 133.19 55.87 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.637 1.575 . . . . 0.0 110.499 174.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.0 p -66.07 -6.39 12.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.538 1.535 . . . . 0.0 114.59 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 63.76 7.17 3.03 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.489 1.916 . . . . 0.0 112.225 -168.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.72 17.06 79.34 Favored Glycine 0 C--N 1.341 0.826 0 CA-C-O 118.04 -1.422 . . . . 0.0 114.241 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -157.08 162.23 39.46 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.8 1.8 . . . . 0.0 115.07 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.47 -155.05 7.34 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 125.587 1.565 . . . . 0.0 112.664 171.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -144.89 150.71 37.52 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.455 1.502 . . . . 0.0 110.914 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.4 t -139.63 128.41 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.364 1.066 . . . . 0.0 110.209 170.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.5 m -105.38 146.86 28.87 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.415 1.886 . . . . 0.0 108.102 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -117.61 152.5 35.04 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.657 1.183 . . . . 0.0 111.441 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.83 -8.05 49.8 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.166 1.386 . . . . 0.0 113.024 169.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -156.32 149.51 24.33 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.693 1.997 . . . . 0.0 111.579 -170.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -76.54 -22.65 54.07 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.814 -0.554 . . . . 0.0 112.202 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.87 -25.59 68.37 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.66 -36.68 22.18 Favored Glycine 0 N--CA 1.469 0.871 0 CA-C-N 119.726 1.148 . . . . 0.0 112.655 171.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -59.1 -46.41 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 117.735 0.767 . . . . 0.0 109.495 172.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.37 -47.66 66.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.959 1.304 . . . . 0.0 112.935 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -65.8 -35.68 81.37 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.22 -29.15 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.072 0.549 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.7 mt -78.63 -38.31 40.03 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.238 -0.914 . . . . 0.0 111.8 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.08 -26.09 62.02 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -81.36 142.93 32.56 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.576 1.15 . . . . 0.0 111.66 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.0 p -79.36 -25.02 42.32 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -170.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.4 ttp-105 -155.99 150.45 25.81 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.248 1.419 . . . . 0.0 111.676 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -136.12 152.99 51.41 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.621 1.569 . . . . 0.0 110.51 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -156.8 130.15 8.03 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.505 -0.747 . . . . 0.0 111.036 -169.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.0 tp -152.67 132.72 13.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.958 1.703 . . . . 0.0 108.688 -173.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.6 t70 59.62 29.8 19.38 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.254 1.422 . . . . 0.0 112.301 -170.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 63.98 19.66 11.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.283 1.833 . . . . 0.0 113.559 -174.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -116.19 136.34 53.1 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.921 1.688 . . . . 0.0 109.516 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.7 m -79.08 118.53 21.14 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.927 0.891 . . . . 0.0 109.172 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 21.2 pt -104.55 153.6 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.835 0.854 . . . . 0.0 111.129 -176.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -130.08 75.5 79.31 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 125.634 1.574 . . . . 0.0 110.916 -171.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -81.72 149.37 16.19 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.831 3.021 . . . . 0.0 112.16 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -159.64 164.19 34.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.976 1.711 . . . . 0.0 111.876 -169.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.75 134.54 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 O-C-N 121.214 -0.929 . . . . 0.0 110.882 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.14 147.99 23.26 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -64.41 143.25 98.49 Favored Pre-proline 0 CA--C 1.551 0.983 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 165.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -62.7 154.13 67.61 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.431 2.754 . . . . 0.0 113.734 -168.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -83.0 169.91 15.47 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.86 1.264 . . . . 0.0 111.63 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -64.6 135.38 55.9 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.443 -0.786 . . . . 0.0 111.265 173.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -165.51 167.23 17.69 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.3 1.84 . . . . 0.0 111.175 -175.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -142.99 145.21 32.22 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 125.6 1.56 . . . . 0.0 109.773 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.05 166.6 27.42 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.987 3.125 . . . . 0.0 112.964 -174.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm . . . . . 0 C--O 1.254 1.301 0 C-N-CA 126.376 1.87 . . . . 0.0 111.683 -174.308 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 C5'-C4'-C3' 111.162 -2.892 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.154 0 O4'-C1'-N19 111.958 3.758 . 0.32 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 O5'-C5'-C4' 113.231 2.165 . 0.226 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 1 O4'-C1'-N19 113.794 5.594 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 1 O4'-C1'-N19 113.048 4.848 . 0.0 OUTLIER '7D dist 1o' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 N--CA 1.485 1.311 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.1 tttt 87.28 137.65 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 129.445 3.098 . . . . 0.0 114.385 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.9 mtp -140.44 137.27 33.81 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 126.283 1.833 . . . . 0.0 111.77 -174.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -83.18 135.46 34.78 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.937 1.695 . . . . 0.0 107.318 167.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.3 mm -115.82 98.28 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.203 1.001 . . . . 0.0 108.712 -173.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.28 160.54 22.94 Favored Glycine 0 N--CA 1.471 0.975 0 C-N-CA 124.108 0.861 . . . . 0.0 113.623 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.63 15.46 79.53 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.446 1.022 . . . . 0.0 115.105 173.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.97 163.5 7.71 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.115 1.366 . . . . 0.0 112.485 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 t -79.86 152.01 29.89 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.589 -0.695 . . . . 0.0 110.672 169.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -61.9 -12.51 18.26 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.813 -1.179 . . . . 0.0 113.443 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -88.01 -14.6 38.64 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.913 1.685 . . . . 0.0 113.233 173.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.6 m -72.26 141.29 48.93 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.38 0.991 . . . . 0.0 112.007 -169.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.2 p -117.55 160.36 21.37 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.553 1.941 . . . . 0.0 110.715 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -70.42 -27.45 64.28 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.481 0.713 . . . . 0.0 112.719 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.54 -37.54 87.02 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.716 0.807 . . . . 0.0 110.412 168.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.65 -34.43 78.4 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.611 1.101 . . . . 0.0 112.547 173.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.43 -51.42 68.8 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.659 1.23 . . . . 0.0 110.383 169.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -56.1 -37.86 69.95 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.814 0.733 . . . . 0.0 112.528 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -59.75 -35.77 75.27 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.881 0.872 . . . . 0.0 112.91 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -88.57 -41.32 12.75 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.893 1.277 . . . . 0.0 113.088 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -81.64 -22.23 37.7 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.406 1.082 . . . . 0.0 113.482 -175.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.18 -13.96 55.1 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.978 1.275 . . . . 0.0 114.147 171.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -78.72 -19.44 52.39 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.646 1.178 . . . . 0.0 112.656 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -98.46 -35.66 10.19 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.444 1.498 . . . . 0.0 111.446 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.84 156.63 21.02 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.146 1.355 . . . . 0.0 112.138 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.72 130.81 47.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.441 0.621 . . . . 0.0 110.338 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 m -90.64 135.26 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.649 0.737 . . . . 0.0 111.194 -175.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -80.11 -27.07 39.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.618 1.967 . . . . 0.0 112.722 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -167.07 141.76 3.95 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.684 1.994 . . . . 0.0 108.122 -171.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.9 p -141.63 144.46 34.18 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.898 1.279 . . . . 0.0 109.878 171.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -146.76 146.31 30.24 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.806 1.242 . . . . 0.0 111.453 -172.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.23 128.24 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.279 1.432 . . . . 0.0 107.428 167.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.2 mmt -89.73 46.4 1.36 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.015 1.326 . . . . 0.0 112.269 -169.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -66.12 146.81 54.22 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -72.41 131.24 84.99 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 125.091 1.356 . . . . 0.0 110.009 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -79.89 -13.19 13.08 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.452 2.102 . . . . 0.0 113.943 -173.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.3 mt -90.08 -38.89 13.25 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.306 0.957 . . . . 0.0 111.688 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.3 p -112.87 -9.85 13.61 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.518 1.527 . . . . 0.0 113.527 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 67.23 0.2 1.99 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.925 2.49 . . . . 0.0 113.886 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -58.5 130.07 45.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.983 1.713 . . . . 0.0 110.589 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.4 p -66.93 -7.77 24.53 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.286 1.435 . . . . 0.0 114.684 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 64.16 7.1 3.25 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.309 1.844 . . . . 0.0 112.315 -168.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.97 17.41 78.49 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-O 118.079 -1.401 . . . . 0.0 114.329 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.26 162.63 39.21 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.811 1.806 . . . . 0.0 115.152 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.06 -156.06 7.66 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 125.444 1.497 . . . . 0.0 112.987 171.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -145.78 150.7 36.69 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.519 1.528 . . . . 0.0 111.07 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.1 t -142.19 135.56 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.513 1.125 . . . . 0.0 110.049 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.3 m -117.73 141.89 47.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.296 1.838 . . . . 0.0 108.398 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.72 155.24 19.89 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.465 1.106 . . . . 0.0 112.251 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.5 mmt -69.33 -15.14 63.27 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.218 1.007 . . . . 0.0 113.417 171.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -155.99 153.93 30.3 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.128 1.771 . . . . 0.0 110.832 174.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -59.99 -26.06 65.74 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.679 1.191 . . . . 0.0 113.099 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.49 -23.73 58.66 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.84 -30.83 31.0 Favored Glycine 0 N--CA 1.469 0.897 0 CA-C-N 119.111 0.869 . . . . 0.0 113.19 172.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.96 -47.02 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.105 0.952 . . . . 0.0 109.125 172.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -51.65 -45.14 63.23 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.656 1.182 . . . . 0.0 112.685 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.16 -38.83 89.05 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.74 -29.21 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.001 0.52 . . . . 0.0 111.15 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.5 -39.02 39.36 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.261 -0.899 . . . . 0.0 112.027 173.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.21 -25.73 63.55 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -85.43 134.52 34.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.562 1.145 . . . . 0.0 110.646 175.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -81.0 -12.09 59.44 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -169.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -161.23 146.88 14.16 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.206 1.403 . . . . 0.0 111.682 -172.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -141.71 153.85 44.91 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.418 1.487 . . . . 0.0 110.921 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -153.24 129.6 10.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.784 1.234 . . . . 0.0 109.843 -173.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.2 tp -155.09 133.28 11.68 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.796 1.638 . . . . 0.0 108.986 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.5 t0 61.24 38.66 16.46 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.871 1.269 . . . . 0.0 112.63 172.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 m 68.99 26.58 5.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.674 1.99 . . . . 0.0 114.137 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -139.6 138.29 36.07 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.008 1.323 . . . . 0.0 110.379 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.8 m -74.88 122.57 23.6 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 170.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 41.6 pt -108.16 154.02 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.856 0.862 . . . . 0.0 111.412 -174.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -128.25 68.29 76.55 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.502 1.521 . . . . 0.0 111.257 -171.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.24 146.78 36.53 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.831 3.02 . . . . 0.0 111.682 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -157.02 163.57 38.93 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.659 1.583 . . . . 0.0 112.044 -169.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.58 134.13 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 123.848 0.859 . . . . 0.0 110.602 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.15 142.91 31.82 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -64.88 162.0 41.43 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 124.731 1.212 . . . . 0.0 111.061 168.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -51.62 158.99 3.69 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.538 3.492 . . . . 0.0 115.18 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -130.75 165.8 22.14 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 124.977 1.311 . . . . 0.0 113.696 -169.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -69.6 125.88 28.06 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.859 0.864 . . . . 0.0 109.82 168.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -166.85 169.74 12.94 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.426 1.891 . . . . 0.0 111.102 -174.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -71.7 135.32 83.51 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 123.639 0.776 . . . . 0.0 110.28 174.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.68 108.74 2.77 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.537 2.825 . . . . 0.0 110.792 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.821 2.048 . . . . 0.0 111.294 -178.339 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.413 0 O4'-C4'-C3' 108.428 2.091 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.249 1 O4'-C1'-N19 112.309 4.109 . 0.58 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 O5'-C5'-C4' 113.296 2.211 . 0.233 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.32 1 O4'-C1'-N19 113.378 5.178 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.42 0 O4'-C1'-N19 111.784 3.584 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.2 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 119.672 -0.204 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -145.51 147.14 31.82 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.75 -1.218 . . . . 0.0 113.833 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtp -138.56 137.04 36.65 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.79 1.636 . . . . 0.0 112.271 -174.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -83.68 134.63 34.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.032 1.733 . . . . 0.0 107.212 167.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 mm -114.78 96.29 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.132 0.973 . . . . 0.0 108.623 -173.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.15 163.75 30.56 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 123.885 0.755 . . . . 0.0 113.113 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.74 19.17 79.71 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.196 0.903 . . . . 0.0 115.019 172.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.9 mt -62.68 163.92 8.48 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.425 1.112 . . . . 0.0 112.275 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 t -75.75 150.29 37.82 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.895 -0.503 . . . . 0.0 110.413 169.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -58.69 -16.75 17.79 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -112.22 7.62 19.52 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.044 1.738 . . . . 0.0 113.953 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.1 m -65.17 140.54 58.78 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.607 1.094 . . . . 0.0 109.905 173.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.2 p -115.41 159.67 20.84 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.532 1.533 . . . . 0.0 110.806 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -70.32 -23.66 62.87 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.57 -37.81 74.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.587 0.355 . . . . 0.0 110.19 167.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.06 -32.39 82.3 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.61 1.1 . . . . 0.0 112.662 173.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.47 -52.47 64.41 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.634 1.217 . . . . 0.0 110.99 169.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.52 -39.74 73.85 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.466 1.03 . . . . 0.0 112.135 176.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.13 -34.21 71.79 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.162 0.985 . . . . 0.0 113.119 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -88.02 -41.1 13.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.398 1.079 . . . . 0.0 113.449 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.69 -18.55 40.52 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -172.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.91 -11.49 50.89 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.636 1.113 . . . . 0.0 114.375 171.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -71.27 -27.11 63.21 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.56 1.144 . . . . 0.0 112.32 172.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -100.01 -34.66 9.99 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.994 1.318 . . . . 0.0 111.64 -176.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.74 153.44 11.5 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.095 1.807 . . . . 0.0 111.544 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.52 147.32 51.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 117.865 0.833 . . . . 0.0 110.841 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.44 HG21 ' SG ' ' A' ' 49' ' ' CYS . 14.7 m -106.84 137.4 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.683 1.193 . . . . 0.0 111.659 -169.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -85.09 -23.13 28.65 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.077 2.151 . . . . 0.0 112.75 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -168.47 140.34 2.78 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.237 2.215 . . . . 0.0 107.905 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' SG ' HG21 ' A' ' 46' ' ' VAL . 11.0 m -140.29 136.62 33.45 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.727 1.611 . . . . 0.0 109.038 175.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.1 mt -145.04 144.26 30.9 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.272 1.029 . . . . 0.0 111.918 -171.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -132.12 129.2 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.376 1.471 . . . . 0.0 107.518 168.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.4 mmt -90.26 44.9 1.23 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.009 1.323 . . . . 0.0 112.302 -169.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -66.2 148.91 51.13 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -172.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.6 130.3 85.85 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.063 1.345 . . . . 0.0 110.084 170.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.51 -12.42 13.9 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.421 2.08 . . . . 0.0 114.316 -172.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.3 mp -88.01 -43.69 11.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.513 1.051 . . . . 0.0 111.09 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.2 p -106.77 -12.29 15.55 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.167 1.387 . . . . 0.0 113.318 -171.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 66.42 3.13 2.7 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.886 2.474 . . . . 0.0 113.404 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -55.95 124.05 16.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.177 1.791 . . . . 0.0 110.665 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.2 p -65.5 -8.57 20.08 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 64.79 5.45 2.83 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.501 1.92 . . . . 0.0 112.458 -168.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.12 16.81 77.99 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-O 118.131 -1.372 . . . . 0.0 114.235 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -157.7 163.08 38.54 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.79 1.795 . . . . 0.0 115.151 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.0 -155.37 7.43 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.496 1.522 . . . . 0.0 112.95 170.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -146.96 149.21 32.74 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.527 1.531 . . . . 0.0 111.33 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.1 t -141.35 130.12 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.516 1.126 . . . . 0.0 110.154 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.9 m -109.42 137.64 46.97 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.134 1.773 . . . . 0.0 107.65 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -105.42 154.4 20.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.076 0.95 . . . . 0.0 111.879 -176.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.9 mmt -70.95 -8.35 52.49 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.534 1.134 . . . . 0.0 113.313 171.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -160.88 158.75 28.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.958 2.103 . . . . 0.0 111.642 -174.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -78.72 -22.52 46.45 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.86 -0.525 . . . . 0.0 112.412 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.06 71.55 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.95 -39.99 58.03 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 119.207 0.912 . . . . 0.0 112.594 171.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.03 -48.45 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 117.72 0.76 . . . . 0.0 109.77 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -53.74 -44.79 70.24 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.594 1.158 . . . . 0.0 112.604 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -67.57 -35.39 78.92 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.2 t -70.65 -28.79 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.016 0.526 . . . . 0.0 111.117 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.9 mt -79.06 -38.87 35.32 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.177 -0.952 . . . . 0.0 111.723 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.83 -25.41 61.97 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -85.7 138.58 32.02 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.424 1.09 . . . . 0.0 111.461 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.6 m -82.59 -4.87 58.33 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -169.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -162.08 144.62 11.46 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.557 1.543 . . . . 0.0 111.224 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -139.56 150.53 45.17 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.249 1.42 . . . . 0.0 110.574 173.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -153.0 130.27 11.26 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.778 0.831 . . . . 0.0 111.102 -171.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -150.88 132.96 15.26 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.744 1.618 . . . . 0.0 108.941 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.8 t70 58.25 30.76 19.95 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.362 1.465 . . . . 0.0 112.397 -169.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.2 m 65.96 16.39 10.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.34 1.856 . . . . 0.0 113.63 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -111.3 138.45 47.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.726 1.61 . . . . 0.0 109.731 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.7 m -74.14 117.58 16.1 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.2 pt -103.66 151.57 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.355 0.662 . . . . 0.0 111.149 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -127.7 70.2 76.81 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 125.554 1.542 . . . . 0.0 111.301 -172.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -76.98 149.23 28.68 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.974 3.116 . . . . 0.0 112.082 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -159.48 164.85 34.11 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.847 1.659 . . . . 0.0 111.869 -169.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.74 134.89 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.256 -0.903 . . . . 0.0 110.86 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.81 142.19 30.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.067 0.947 . . . . 0.0 113.202 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -64.77 158.12 70.8 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 124.211 1.004 . . . . 0.0 110.784 168.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -51.67 160.07 2.98 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 124.685 3.59 . . . . 0.0 115.443 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.57 147.87 40.09 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.696 1.198 . . . . 0.0 113.814 -170.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.37 129.48 41.4 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.566 1.546 . . . . 0.0 111.518 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -167.84 158.84 11.1 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.244 2.217 . . . . 0.0 110.379 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -145.09 147.23 33.75 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 125.284 1.434 . . . . 0.0 110.284 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.18 144.87 34.07 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.534 2.823 . . . . 0.0 111.252 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.34 1.856 . . . . 0.0 112.683 -177.89 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 O4'-C1'-N19 110.724 2.524 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.151 0 O4'-C1'-N19 111.729 3.529 . 0.067 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O5'-C5'-C4' 113.286 2.204 . 0.233 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 1 O4'-C1'-N19 113.426 5.226 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 O4'-C1'-N19 111.705 3.505 . 0.161 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.2 tttt 97.76 138.37 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 129.985 3.314 . . . . 0.0 114.544 172.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.4 mtp -138.6 135.68 35.21 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 126.386 1.874 . . . . 0.0 111.678 -175.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -81.38 131.1 35.27 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.928 1.691 . . . . 0.0 106.442 168.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.5 mm -111.12 95.21 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -172.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.52 167.14 32.21 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.973 0.797 . . . . 0.0 113.02 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.54 14.38 79.62 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.233 0.921 . . . . 0.0 114.988 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.56 162.4 10.49 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.528 1.164 . . . . 0.0 112.219 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.1 t -77.44 147.48 35.94 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.411 168.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -58.34 -14.63 7.89 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 176.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -105.31 7.46 33.41 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.633 1.573 . . . . 0.0 112.926 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.9 m -69.94 145.49 51.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.414 1.086 . . . . 0.0 110.919 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.6 p -121.51 159.09 27.03 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.731 1.613 . . . . 0.0 110.581 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.02 -27.75 68.35 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.33 -36.73 74.45 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.861 -0.524 . . . . 0.0 110.844 169.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.04 -33.13 84.56 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.352 0.977 . . . . 0.0 112.297 173.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 mt -62.27 -51.95 65.68 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.365 1.083 . . . . 0.0 110.895 169.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -56.68 -39.28 73.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.334 0.97 . . . . 0.0 112.185 176.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -58.61 -33.39 69.96 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.279 1.031 . . . . 0.0 113.042 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -89.7 -41.33 11.98 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.354 1.062 . . . . 0.0 113.379 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -81.79 -19.05 42.03 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -172.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.52 -10.76 50.65 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.691 1.139 . . . . 0.0 114.371 172.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -71.23 -26.02 62.74 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.553 1.141 . . . . 0.0 112.38 172.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -101.44 -38.73 7.88 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.223 1.409 . . . . 0.0 111.439 -176.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.32 154.04 14.82 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 126.329 1.919 . . . . 0.0 111.051 173.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.98 145.29 56.12 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.269 1.035 . . . . 0.0 110.882 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.8 m -99.11 131.38 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 124.13 0.972 . . . . 0.0 110.772 -173.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -79.95 -23.39 41.7 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.619 1.968 . . . . 0.0 112.526 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -170.93 140.49 1.59 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.458 2.303 . . . . 0.0 107.468 -172.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.08 145.3 30.5 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.675 1.19 . . . . 0.0 110.202 176.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.1 mt -149.72 152.03 34.63 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.683 1.193 . . . . 0.0 111.13 -169.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -134.53 126.73 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.838 1.655 . . . . 0.0 106.72 169.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.3 mmt -95.46 42.59 1.09 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.204 1.402 . . . . 0.0 112.607 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -59.78 153.32 20.85 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.26 1.424 . . . . 0.0 114.415 -172.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.5 129.22 92.81 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.788 1.235 . . . . 0.0 109.987 169.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -79.46 -12.03 14.13 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.389 2.059 . . . . 0.0 114.202 -172.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.09 -42.46 12.36 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.543 1.065 . . . . 0.0 111.193 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.5 p -108.25 -11.62 15.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.896 1.279 . . . . 0.0 113.478 -171.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 65.84 2.46 2.18 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.934 2.494 . . . . 0.0 113.573 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.4 mtp-105 -57.98 126.34 27.02 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.864 2.065 . . . . 0.0 110.497 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 p -62.12 -8.51 5.6 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 60.04 11.74 2.83 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.68 1.592 . . . . 0.0 112.473 -168.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.72 17.79 78.29 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-O 117.847 -1.529 . . . . 0.0 114.047 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -155.77 158.33 37.99 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.74 -157.17 8.06 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 126.124 1.821 . . . . 0.0 112.585 173.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -147.39 147.11 29.92 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.323 1.449 . . . . 0.0 111.047 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.9 t -141.63 126.69 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.396 1.078 . . . . 0.0 110.61 174.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 m -101.97 138.42 38.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.639 1.976 . . . . 0.0 107.967 170.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -105.6 149.58 26.18 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.964 0.906 . . . . 0.0 111.281 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.0 mtp -72.62 -6.91 47.5 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.429 1.092 . . . . 0.0 113.549 173.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -153.63 152.07 30.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.492 2.317 . . . . 0.0 110.801 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -75.13 -25.75 58.65 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.696 -0.628 . . . . 0.0 112.273 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.22 -32.51 70.02 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.695 0.798 . . . . 0.0 112.941 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.54 -34.3 78.65 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 119.361 0.982 . . . . 0.0 112.932 173.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 80.6 t -66.42 -48.19 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 118.251 1.025 . . . . 0.0 109.352 173.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.91 -44.04 70.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.073 0.949 . . . . 0.0 112.606 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -67.41 -36.32 81.03 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 82.0 t -70.64 -30.16 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.337 0.655 . . . . 0.0 111.066 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.0 mt -77.03 -38.51 52.68 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.178 -0.951 . . . . 0.0 111.848 173.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.59 -20.51 61.29 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -90.81 138.46 31.57 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.833 1.253 . . . . 0.0 111.371 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -83.65 -5.43 59.18 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -169.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -161.65 144.85 12.3 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.539 1.536 . . . . 0.0 111.216 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.09 151.39 45.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.31 1.444 . . . . 0.0 110.655 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -153.2 130.93 11.58 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.749 0.819 . . . . 0.0 111.033 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.8 tp -150.08 131.99 15.16 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.681 1.592 . . . . 0.0 108.996 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 58.32 33.03 22.77 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.567 1.547 . . . . 0.0 112.327 -171.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m 66.0 17.82 10.89 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.585 1.954 . . . . 0.0 113.926 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -116.01 139.22 50.48 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.734 1.614 . . . . 0.0 109.9 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 m -75.87 115.89 16.02 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.2 pt -100.17 150.43 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.26 0.624 . . . . 0.0 111.137 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -129.7 67.4 79.15 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 125.691 1.597 . . . . 0.0 111.466 -172.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -73.79 148.24 40.89 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 124.141 3.227 . . . . 0.0 111.993 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -157.77 163.78 37.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.077 1.751 . . . . 0.0 111.681 -171.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.8 134.1 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 121.122 -0.986 . . . . 0.0 111.136 -174.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.28 149.46 23.79 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -66.94 150.43 97.87 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.181 166.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -50.15 145.06 21.01 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 124.482 3.455 . . . . 0.0 115.422 -171.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -90.06 150.05 22.25 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.78 1.232 . . . . 0.0 112.338 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -142.31 126.28 17.25 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.892 1.677 . . . . 0.0 109.716 174.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -168.23 154.55 7.35 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.001 1.72 . . . . 0.0 111.094 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -146.21 136.29 11.95 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.55 1.54 . . . . 0.0 109.644 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.29 156.17 46.29 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.93 3.087 . . . . 0.0 111.649 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.272 1.429 . . . . 0.0 112.061 -169.809 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 0 O4'-C4'-C3' 108.586 2.204 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.153 0 O4'-C1'-N19 111.855 3.655 . 0.088 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 O5'-C5'-C4' 113.283 2.202 . 0.224 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 1 O4'-C1'-N19 112.375 4.175 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 O4'-C1'-N19 112.098 3.898 . 0.056 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -96.86 144.7 26.56 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 121.529 1.968 . . . . 0.0 113.404 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.7 mtp -139.05 137.89 36.67 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.409 1.884 . . . . 0.0 111.952 -174.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -83.86 139.71 32.47 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.896 1.679 . . . . 0.0 108.259 168.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 mm -121.9 102.8 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.178 0.991 . . . . 0.0 109.036 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.34 167.56 26.28 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.242 0.925 . . . . 0.0 113.338 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.73 12.95 82.57 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.46 1.029 . . . . 0.0 115.245 173.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.63 159.64 12.9 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.972 1.309 . . . . 0.0 112.442 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 t -76.88 152.38 35.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.711 0.767 . . . . 0.0 111.473 173.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -62.98 -6.6 4.04 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.292 1.037 . . . . 0.0 113.267 168.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -114.66 6.35 15.66 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.414 1.486 . . . . 0.0 113.417 173.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.3 m -70.53 143.66 51.57 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.652 1.115 . . . . 0.0 110.459 172.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.7 p -124.75 162.21 24.73 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.111 1.765 . . . . 0.0 110.208 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -65.45 -29.62 70.31 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.49 -36.88 79.55 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.864 -0.523 . . . . 0.0 110.861 170.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.8 -33.41 85.8 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.327 0.965 . . . . 0.0 112.454 173.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -61.94 -51.73 66.94 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.495 1.148 . . . . 0.0 111.165 169.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -57.71 -38.69 75.69 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.45 1.023 . . . . 0.0 112.191 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.18 -33.3 70.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.999 0.92 . . . . 0.0 112.846 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -88.94 -42.2 11.95 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.47 1.108 . . . . 0.0 113.402 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -81.33 -19.52 42.66 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 -10.42 48.46 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.76 1.171 . . . . 0.0 114.321 172.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.81 -26.62 63.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.619 1.167 . . . . 0.0 112.337 171.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -101.47 -30.11 11.61 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.065 1.346 . . . . 0.0 112.251 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.9 156.27 11.96 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 127.034 2.254 . . . . 0.0 111.286 176.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.08 147.05 53.93 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.466 1.133 . . . . 0.0 111.153 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.9 m -103.73 131.44 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.499 1.119 . . . . 0.0 111.168 -174.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -81.3 -24.17 37.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.337 2.255 . . . . 0.0 112.977 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -161.33 147.92 14.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.436 1.894 . . . . 0.0 108.614 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.6 p -150.73 141.27 22.54 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.976 1.31 . . . . 0.0 110.06 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -147.8 151.71 36.46 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.661 1.584 . . . . 0.0 111.015 -171.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -138.91 127.36 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.974 1.71 . . . . 0.0 106.571 169.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.403 ' HG3' ' CE2' ' A' ' 63' ' ' PHE . 33.4 mmt -88.73 49.8 1.85 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.216 1.006 . . . . 0.0 112.167 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -74.79 145.54 42.83 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -175.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.3 132.1 70.63 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.215 1.406 . . . . 0.0 109.992 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.36 -12.46 12.77 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.65 2.233 . . . . 0.0 114.057 -174.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 73.8 mt -94.7 -43.38 8.29 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.753 1.221 . . . . 0.0 111.321 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.0 p -104.4 -7.71 19.7 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.749 1.22 . . . . 0.0 112.977 -174.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 64.53 0.49 1.11 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.983 2.513 . . . . 0.0 113.769 176.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.4 mmt-85 -61.87 134.88 57.25 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.651 1.18 . . . . 0.0 110.267 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.3 p -80.85 -2.55 47.82 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.57 1.148 . . . . 0.0 113.474 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 61.5 2.44 0.67 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.913 1.685 . . . . 0.0 112.39 -168.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.52 21.8 77.69 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.456 1.503 . . . . 0.0 113.882 -174.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.403 ' CE2' ' HG3' ' A' ' 52' ' ' MET . 5.2 p90 -155.45 160.45 40.62 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.845 1.822 . . . . 0.0 115.158 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.65 -157.57 8.49 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.764 1.649 . . . . 0.0 112.918 173.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -145.83 151.65 38.25 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.174 1.39 . . . . 0.0 111.244 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.7 t -143.38 134.92 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.882 1.273 . . . . 0.0 109.799 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.7 m -111.67 133.52 53.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.182 1.393 . . . . 0.0 108.105 170.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -91.97 152.49 19.99 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.696 0.798 . . . . 0.0 112.114 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.8 mtt -72.16 -8.85 57.03 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.086 0.954 . . . . 0.0 113.454 170.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -157.01 142.85 17.75 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.521 1.928 . . . . 0.0 111.421 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -68.61 -23.99 64.52 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.357 0.663 . . . . 0.0 112.114 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.79 -19.61 64.2 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.58 -33.83 18.11 Favored Glycine 0 N--CA 1.468 0.824 0 CA-C-N 119.771 1.168 . . . . 0.0 112.555 170.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.65 -46.09 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 117.955 0.878 . . . . 0.0 109.464 170.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -50.03 -47.45 53.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.459 1.104 . . . . 0.0 112.702 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -65.73 -35.75 81.62 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -70.94 -31.95 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.251 0.62 . . . . 0.0 111.319 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -77.25 -38.02 51.9 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.178 -0.951 . . . . 0.0 111.972 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.44 -17.14 62.39 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -176.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -94.64 137.32 33.89 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.711 1.204 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.2 m -80.11 -10.04 59.74 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -169.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -162.87 148.14 11.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.492 1.517 . . . . 0.0 111.43 -176.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -136.88 154.44 50.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.593 1.557 . . . . 0.0 110.759 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -152.13 132.24 13.51 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.156 0.982 . . . . 0.0 110.642 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.4 tp -149.38 130.1 14.12 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.507 1.523 . . . . 0.0 108.884 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.0 t70 59.61 35.35 22.49 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.562 1.545 . . . . 0.0 112.585 -174.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 66.1 18.58 11.03 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.287 1.835 . . . . 0.0 113.895 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -117.95 131.83 56.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.289 1.836 . . . . 0.0 109.616 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.2 m -66.43 121.38 15.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.512 1.125 . . . . 0.0 108.677 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.1 pt -107.18 156.02 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.369 0.668 . . . . 0.0 111.103 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -128.69 80.61 72.31 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.4 1.48 . . . . 0.0 110.619 -173.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -86.36 140.62 6.49 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.921 3.081 . . . . 0.0 111.399 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -157.09 165.19 36.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.555 1.542 . . . . 0.0 112.156 -169.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.44 133.92 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 O-C-N 121.283 -0.886 . . . . 0.0 110.713 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.5 140.35 37.31 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.948 0.899 . . . . 0.0 113.356 -176.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -64.31 160.63 48.45 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 124.809 1.243 . . . . 0.0 111.379 168.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -52.77 166.17 0.94 Allowed 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 124.714 3.609 . . . . 0.0 115.712 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.18 143.05 29.02 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.742 1.617 . . . . 0.0 112.671 -170.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -119.75 126.84 52.02 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.507 1.523 . . . . 0.0 110.624 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -165.41 163.76 19.7 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.578 1.951 . . . . 0.0 110.895 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -144.07 146.23 33.07 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.511 1.524 . . . . 0.0 109.942 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -74.34 140.84 27.96 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.385 2.723 . . . . 0.0 110.882 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.18 1.792 . . . . 0.0 111.443 -177.484 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 O4'-C4'-C3' 108.475 2.125 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.082 0 O4'-C1'-N19 111.833 3.633 . 0.549 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.916 0 O5'-C5'-C4' 113.774 2.553 . 0.224 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.299 1 O4'-C1'-N19 114.067 5.867 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.231 1 O4'-C1'-N19 112.3 4.1 . 0.119 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -115.14 147.1 40.68 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.931 1.696 . . . . 0.0 113.349 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.6 mtp -138.71 139.22 38.31 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 126.307 1.843 . . . . 0.0 112.379 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -82.6 139.24 33.9 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.195 1.798 . . . . 0.0 107.435 167.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mm -122.4 102.42 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.201 1.0 . . . . 0.0 109.316 -175.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.62 171.85 30.87 Favored Glycine 0 N--CA 1.474 1.179 0 C-N-CA 124.037 0.827 . . . . 0.0 113.254 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.44 18.0 78.08 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.187 0.899 . . . . 0.0 115.127 171.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.09 166.8 15.29 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.84 1.256 . . . . 0.0 112.258 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.2 t -82.26 151.27 26.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.441 0.696 . . . . 0.0 110.611 169.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -62.73 -10.83 14.11 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.786 -1.196 . . . . 0.0 113.2 169.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -98.92 -6.7 28.33 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.525 1.93 . . . . 0.0 112.874 174.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.2 m -69.16 140.96 54.68 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.76 1.164 . . . . 0.0 110.74 176.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.6 p -122.87 165.4 16.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.252 1.821 . . . . 0.0 110.374 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -66.13 -25.6 67.06 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 176.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.51 -36.69 71.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.88 0.472 . . . . 0.0 110.743 169.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.53 87.45 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.176 0.893 . . . . 0.0 112.341 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.14 -52.19 65.92 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 118.491 1.146 . . . . 0.0 110.753 169.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -56.3 -38.45 71.27 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.043 0.838 . . . . 0.0 112.401 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.55 -35.08 75.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.212 1.005 . . . . 0.0 112.952 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -88.02 -39.39 14.7 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.422 1.089 . . . . 0.0 113.166 177.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -82.63 -16.76 47.11 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -174.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 -11.59 44.32 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.568 1.08 . . . . 0.0 114.401 170.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -73.16 -26.2 61.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.815 1.246 . . . . 0.0 112.578 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -102.45 -19.98 14.71 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.878 1.271 . . . . 0.0 112.779 -173.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.9 165.4 22.13 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 126.198 1.856 . . . . 0.0 111.93 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.59 130.05 41.71 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 122.058 -0.672 . . . . 0.0 109.984 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.2 m -86.3 135.25 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-O 121.66 0.743 . . . . 0.0 111.05 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -83.02 -25.92 31.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.715 2.006 . . . . 0.0 112.403 172.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -162.42 145.62 11.44 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.724 1.61 . . . . 0.0 109.422 -174.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.7 m -141.31 140.86 33.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.777 1.631 . . . . 0.0 109.305 171.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.9 mt -144.22 153.14 41.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.562 1.545 . . . . 0.0 111.122 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -138.71 129.73 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.725 1.61 . . . . 0.0 107.5 169.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.6 mmt -92.32 51.61 1.8 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.581 1.153 . . . . 0.0 111.796 -169.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -70.17 149.06 47.93 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.208 1.003 . . . . 0.0 113.624 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -75.2 130.51 80.2 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.127 1.371 . . . . 0.0 110.311 170.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -81.57 -10.54 11.97 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.546 2.164 . . . . 0.0 114.5 -173.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.7 -34.44 14.65 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.615 1.098 . . . . 0.0 111.842 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.6 p -117.17 -10.34 10.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.12 1.368 . . . . 0.0 113.467 -172.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.26 2.01 2.21 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.838 2.455 . . . . 0.0 113.969 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -57.57 130.16 45.12 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.755 1.622 . . . . 0.0 110.281 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.0 p -69.86 -4.99 22.75 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.008 1.323 . . . . 0.0 114.444 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 61.24 7.77 1.79 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.904 1.682 . . . . 0.0 112.1 -167.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.09 18.67 79.76 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.004 -1.442 . . . . 0.0 114.087 -178.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -156.26 160.22 39.59 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.969 1.885 . . . . 0.0 115.586 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.43 -156.6 7.99 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 125.813 1.673 . . . . 0.0 113.048 174.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -147.05 151.63 37.23 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.397 1.479 . . . . 0.0 111.016 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.9 t -143.5 138.17 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.547 1.139 . . . . 0.0 110.086 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.6 m -118.55 138.95 52.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.295 1.438 . . . . 0.0 108.562 173.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -98.05 156.65 16.55 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.545 1.138 . . . . 0.0 112.167 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.5 mmt -65.12 -17.41 64.44 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 171.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -155.55 156.41 35.09 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.344 1.858 . . . . 0.0 110.884 173.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -58.53 -26.1 63.16 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.825 1.25 . . . . 0.0 113.466 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.09 -18.63 48.45 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.53 -27.62 26.77 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-N 119.435 1.016 . . . . 0.0 113.242 170.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.64 -45.6 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.326 1.063 . . . . 0.0 109.089 169.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -49.62 -47.26 49.87 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.578 1.151 . . . . 0.0 112.662 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -66.17 -35.98 81.88 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.74 -31.34 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.168 0.587 . . . . 0.0 111.222 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.8 mt -77.3 -38.2 51.14 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.226 -0.921 . . . . 0.0 112.091 174.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -16.92 62.68 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -176.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -95.61 136.9 35.41 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.929 1.291 . . . . 0.0 110.698 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -81.25 -11.02 59.49 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -168.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -163.45 148.18 10.97 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.227 1.411 . . . . 0.0 111.59 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -141.31 153.42 45.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.718 1.607 . . . . 0.0 110.659 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -152.18 132.57 13.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.03 0.932 . . . . 0.0 110.73 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.8 tp -149.2 130.93 15.04 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.609 1.563 . . . . 0.0 109.309 -177.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.5 t70 59.08 34.06 23.21 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.727 1.611 . . . . 0.0 112.669 -175.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 66.48 22.97 10.59 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.27 1.828 . . . . 0.0 113.721 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -123.53 134.66 53.83 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.594 1.558 . . . . 0.0 109.828 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.8 m -76.23 118.65 19.17 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 pt -100.21 158.43 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.838 0.855 . . . . 0.0 111.316 -174.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.51 77.37 73.55 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 125.313 1.445 . . . . 0.0 111.182 -171.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -84.6 147.4 10.98 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.747 2.965 . . . . 0.0 111.896 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -158.63 161.51 37.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.852 1.661 . . . . 0.0 111.784 -171.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.7 t -62.93 134.52 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 O-C-N 121.111 -0.993 . . . . 0.0 110.632 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.6 142.03 33.17 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.016 0.926 . . . . 0.0 113.205 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -62.64 136.99 96.39 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.87 0.868 . . . . 0.0 109.865 169.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -67.71 167.99 19.63 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 124.022 3.148 . . . . 0.0 113.693 -169.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -145.29 170.96 15.27 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.948 1.699 . . . . 0.0 112.9 -172.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -135.55 133.34 38.27 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.176 1.79 . . . . 0.0 110.658 177.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -156.27 136.96 13.31 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.101 1.76 . . . . 0.0 110.035 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -147.76 150.3 35.9 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.449 1.5 . . . . 0.0 110.109 -172.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.34 163.92 35.25 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.861 3.041 . . . . 0.0 112.162 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.305 0 C-N-CA 125.96 1.704 . . . . 0.0 112.992 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 O4'-C1'-N19 110.577 2.377 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.051 0 C5'-C4'-C3' 111.141 -2.906 . 0.139 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 100.178 -2.522 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 1 O4'-C1'-N19 114.182 5.982 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.409 1 O4'-C1'-N19 112.985 4.785 . 0.04 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 119.746 -0.168 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -144.75 145.32 31.62 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.695 -1.253 . . . . 0.0 113.294 -170.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.6 mtp -141.13 137.91 33.09 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.52 1.528 . . . . 0.0 112.408 -171.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -81.82 137.31 35.3 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.164 1.785 . . . . 0.0 107.673 167.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.1 mm -120.33 98.83 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.132 0.973 . . . . 0.0 108.875 -175.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.93 165.87 24.53 Favored Glycine 0 N--CA 1.471 1.006 0 C-N-CA 124.283 0.944 . . . . 0.0 113.828 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.32 15.06 78.96 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.533 1.063 . . . . 0.0 115.282 172.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.7 mt -59.79 157.37 12.31 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.977 1.311 . . . . 0.0 112.541 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -71.14 146.12 49.37 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.965 -0.46 . . . . 0.0 109.779 168.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -58.7 -13.96 7.3 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.943 -1.098 . . . . 0.0 113.827 170.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.11 -9.86 44.07 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.863 1.265 . . . . 0.0 113.792 174.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.7 m -69.41 139.93 54.11 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.511 1.05 . . . . 0.0 111.237 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.6 p -118.95 163.3 17.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.191 1.797 . . . . 0.0 110.21 174.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.43 -25.86 65.23 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 177.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.17 -36.97 77.94 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.824 -0.548 . . . . 0.0 110.462 168.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.69 -33.39 84.21 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.426 1.013 . . . . 0.0 112.516 172.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.94 -50.66 71.26 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.668 1.234 . . . . 0.0 111.0 169.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -56.9 -39.77 75.01 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.504 1.047 . . . . 0.0 112.083 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.56 -33.84 71.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.981 0.912 . . . . 0.0 112.872 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -86.46 -40.83 14.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.448 1.099 . . . . 0.0 113.463 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -83.95 -19.14 35.17 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -172.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.61 -10.09 47.79 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.537 1.065 . . . . 0.0 114.301 171.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -70.32 -26.21 63.66 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.718 1.207 . . . . 0.0 112.362 171.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -103.03 -33.65 9.19 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.354 1.461 . . . . 0.0 111.772 -176.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.58 150.21 8.1 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 126.148 1.832 . . . . 0.0 111.137 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.33 145.38 47.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 117.786 0.793 . . . . 0.0 110.709 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 m -100.23 130.93 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.216 1.007 . . . . 0.0 110.506 -172.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -75.08 -28.78 60.47 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.431 1.893 . . . . 0.0 112.079 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -163.88 151.58 12.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.929 1.691 . . . . 0.0 109.611 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.0 p -145.9 143.78 29.78 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.401 1.081 . . . . 0.0 111.288 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.4 mt -144.67 144.69 31.36 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.212 1.405 . . . . 0.0 111.251 -170.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.67 127.91 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.289 1.435 . . . . 0.0 107.223 168.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.3 mmt -88.2 50.22 1.94 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.916 1.286 . . . . 0.0 111.607 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -66.83 149.31 50.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.097 1.359 . . . . 0.0 113.818 -171.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.33 120.57 82.06 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 125.472 1.509 . . . . 0.0 110.28 173.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.18 -14.41 28.67 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.543 2.162 . . . . 0.0 113.668 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -81.82 -32.16 31.38 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.411 1.005 . . . . 0.0 113.191 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 p -126.27 -12.07 6.3 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.73 1.612 . . . . 0.0 114.273 -172.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 67.04 8.65 6.31 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.573 2.349 . . . . 0.0 113.892 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -56.51 133.29 53.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.454 1.101 . . . . 0.0 109.912 169.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 p -58.5 -17.72 23.46 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 172.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.22 7.54 6.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.511 2.325 . . . . 0.0 112.757 -175.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.18 8.53 74.97 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-O 117.981 -1.455 . . . . 0.0 114.937 173.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -159.97 161.31 34.12 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.824 1.812 . . . . 0.0 115.123 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.01 -158.63 9.01 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 125.761 1.648 . . . . 0.0 112.865 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -147.43 149.58 32.98 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.717 1.607 . . . . 0.0 110.76 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.6 t -140.53 133.06 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.262 1.025 . . . . 0.0 110.083 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.2 m -109.05 134.5 51.59 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.009 1.724 . . . . 0.0 107.459 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -101.54 153.92 19.3 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.384 1.073 . . . . 0.0 112.25 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -66.81 -18.93 65.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.98 0.912 . . . . 0.0 113.364 172.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -156.42 154.49 30.55 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.772 1.629 . . . . 0.0 111.206 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -63.4 -24.26 67.76 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.538 1.135 . . . . 0.0 112.664 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.6 -25.31 64.53 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 178.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.93 -39.84 15.85 Favored Glycine 0 C--N 1.341 0.836 0 CA-C-N 118.953 0.797 . . . . 0.0 112.288 171.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.18 -48.97 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.931 0.892 . . . . 0.0 109.669 174.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -52.65 -46.14 67.01 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.887 1.275 . . . . 0.0 112.62 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.53 -36.39 82.58 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.73 -29.55 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.091 0.556 . . . . 0.0 111.115 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.82 -38.14 38.95 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.243 -0.91 . . . . 0.0 112.109 173.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.54 -23.24 62.59 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -84.33 142.57 30.09 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.819 1.248 . . . . 0.0 111.405 177.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 p -79.62 -24.5 41.91 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -169.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -155.74 147.42 23.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.413 1.485 . . . . 0.0 111.903 -174.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -136.0 153.9 51.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.777 1.631 . . . . 0.0 110.843 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -152.6 131.62 12.6 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.277 1.031 . . . . 0.0 110.529 -172.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.2 tp -149.26 126.97 11.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.355 1.462 . . . . 0.0 109.067 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.3 t70 58.21 38.33 26.23 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.793 1.637 . . . . 0.0 112.643 -171.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.6 m 66.69 17.0 10.53 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.079 1.751 . . . . 0.0 113.864 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -115.89 131.75 56.85 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.427 1.891 . . . . 0.0 109.481 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.7 m -66.63 121.87 16.35 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.463 1.105 . . . . 0.0 108.589 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.1 pt -108.08 155.88 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.445 0.698 . . . . 0.0 111.244 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -124.78 82.77 59.9 Favored Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 125.531 1.532 . . . . 0.0 110.359 -177.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -86.41 132.9 3.76 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.768 2.979 . . . . 0.0 110.233 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -153.74 164.05 38.98 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.166 1.386 . . . . 0.0 112.093 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.18 131.09 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 O-C-N 121.273 -0.892 . . . . 0.0 110.844 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.38 136.61 39.51 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.615 0.766 . . . . 0.0 111.258 177.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -55.03 134.71 67.69 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 123.687 0.795 . . . . 0.0 110.903 175.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.26 154.4 69.79 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.703 2.935 . . . . 0.0 112.166 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -110.98 12.54 22.12 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.574 1.15 . . . . 0.0 113.127 -175.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -163.7 144.74 8.95 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.155 2.582 . . . . 0.0 109.881 -172.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -152.77 156.99 40.16 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.475 1.51 . . . . 0.0 111.376 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -144.65 150.42 46.94 Favored Pre-proline 0 CA--C 1.546 0.794 0 C-N-CA 125.897 1.679 . . . . 0.0 109.813 -177.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -72.79 152.3 52.5 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.588 2.858 . . . . 0.0 111.941 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt . . . . . 0 C--O 1.253 1.282 0 C-N-CA 125.861 1.664 . . . . 0.0 111.325 -178.233 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 O4'-C4'-C3' 108.598 2.213 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.21 0 O4'-C1'-N19 111.991 3.791 . 0.599 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.634 0 O5'-C5'-C4' 113.56 2.4 . 0.248 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.132 1 O4'-C1'-N19 114.131 5.931 . 0.015 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.206 0 O4'-C1'-N19 111.03 2.83 . 0.08 1o . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 111.462 0.171 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.7 tttt 92.3 136.63 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 129.785 3.234 . . . . 0.0 114.08 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.6 mtp -142.44 139.09 31.49 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 126.331 1.852 . . . . 0.0 111.985 -171.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -82.23 138.55 34.61 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.15 1.78 . . . . 0.0 108.276 167.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mm -121.52 100.67 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.174 0.99 . . . . 0.0 109.202 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.59 167.38 28.5 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 124.062 0.839 . . . . 0.0 113.222 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.96 18.94 79.34 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.13 0.871 . . . . 0.0 115.123 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.33 165.06 14.79 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.863 1.265 . . . . 0.0 112.259 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.5 t -82.6 153.12 25.62 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.471 0.709 . . . . 0.0 111.088 169.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -65.95 -10.81 42.53 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.971 -1.081 . . . . 0.0 112.342 168.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -95.92 -7.32 36.96 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.045 1.338 . . . . 0.0 113.047 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.3 m -68.43 142.7 55.3 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.499 1.045 . . . . 0.0 110.198 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.3 p -121.97 161.68 22.48 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.64 1.576 . . . . 0.0 109.637 173.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.47 -26.2 65.36 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.45 -35.62 75.83 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.872 -0.518 . . . . 0.0 110.598 168.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.57 -33.82 82.3 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.494 1.045 . . . . 0.0 112.429 172.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.77 -49.98 74.22 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 118.566 1.183 . . . . 0.0 110.739 169.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -57.12 -38.8 73.97 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.25 0.932 . . . . 0.0 112.256 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -60.1 -36.68 77.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.719 0.808 . . . . 0.0 112.859 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -84.15 -39.68 19.13 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.49 1.116 . . . . 0.0 113.409 177.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -86.47 -22.28 26.55 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.76 -12.27 52.77 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.071 1.32 . . . . 0.0 113.917 172.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -75.22 -20.03 59.47 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.811 1.245 . . . . 0.0 112.405 173.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -102.49 -39.31 7.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.527 1.531 . . . . 0.0 111.192 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.62 152.45 11.92 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.48 1.514 . . . . 0.0 112.029 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.87 145.81 55.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 117.777 0.788 . . . . 0.0 111.415 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.9 m -102.38 133.53 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.49 1.116 . . . . 0.0 111.421 -171.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.46 -24.25 34.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.034 2.133 . . . . 0.0 112.493 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -164.05 147.32 9.61 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.064 2.146 . . . . 0.0 108.386 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 p -149.59 142.45 24.73 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.848 1.259 . . . . 0.0 110.206 177.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.1 mt -146.53 143.46 28.92 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.289 1.436 . . . . 0.0 111.524 -171.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.3 t -135.74 129.58 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.379 1.471 . . . . 0.0 107.123 167.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.8 mmt -85.86 56.72 4.1 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.499 1.119 . . . . 0.0 112.866 -169.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 60' ' ' SER . 60.8 mtm180 -72.55 124.53 25.42 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.255 1.022 . . . . 0.0 112.691 176.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -70.47 131.71 88.05 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.263 1.425 . . . . 0.0 109.576 169.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -79.6 -12.69 13.68 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.117 1.878 . . . . 0.0 114.309 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -93.81 -40.87 9.95 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.686 1.13 . . . . 0.0 111.555 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.3 p -106.3 -9.68 16.7 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.073 0.949 . . . . 0.0 113.462 -174.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt 68.73 -0.63 2.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.699 2.4 . . . . 0.0 113.381 174.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -74.19 135.72 42.79 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.787 1.235 . . . . 0.0 110.688 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 97.2 p -88.02 -1.62 58.1 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.649 1.58 . . . . 0.0 113.644 -179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 57.74 11.99 1.5 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.815 1.646 . . . . 0.0 112.2 -168.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.99 27.07 73.52 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-O 118.22 -1.322 . . . . 0.0 114.057 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -153.96 162.38 41.26 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.754 1.777 . . . . 0.0 114.939 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.28 -159.2 9.45 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.901 1.715 . . . . 0.0 113.065 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -147.16 150.9 35.86 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.649 1.58 . . . . 0.0 111.037 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.5 t -142.87 133.64 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.653 1.181 . . . . 0.0 110.125 176.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.4 m -110.22 137.85 47.39 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.684 1.593 . . . . 0.0 108.182 170.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.53 150.31 22.81 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.112 0.965 . . . . 0.0 111.151 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 55.6 mtp -70.91 -6.26 37.06 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -155.78 156.52 34.94 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.677 2.391 . . . . 0.0 110.859 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -73.16 -27.77 61.85 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.62 -0.675 . . . . 0.0 112.226 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.12 68.97 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.57 -32.56 78.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 121.195 -0.94 . . . . 0.0 113.004 173.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.34 -47.61 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 118.127 0.963 . . . . 0.0 109.464 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.22 -43.06 74.13 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.891 0.876 . . . . 0.0 112.223 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -65.8 -35.29 80.27 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.6 t -71.28 -40.37 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 122.845 0.458 . . . . 0.0 110.718 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 mt -69.82 -35.49 74.85 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.264 0.626 . . . . 0.0 112.293 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.94 -11.22 60.45 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -105.29 139.99 39.1 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.381 1.472 . . . . 0.0 110.201 176.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.9 t -91.81 -5.6 53.18 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -168.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -162.06 145.39 11.92 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.982 1.313 . . . . 0.0 111.542 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -144.51 156.41 44.15 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.749 1.62 . . . . 0.0 110.637 -177.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -154.58 133.13 12.03 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.936 0.894 . . . . 0.0 110.887 -173.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.0 tp -149.75 129.39 13.16 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.723 1.609 . . . . 0.0 108.983 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.6 t70 57.71 34.8 24.91 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.658 1.583 . . . . 0.0 112.66 -170.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 m 65.92 17.91 10.94 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.882 1.673 . . . . 0.0 113.7 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -115.75 130.94 57.04 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.186 1.795 . . . . 0.0 109.102 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.8 m -73.72 117.08 15.07 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.453 1.101 . . . . 0.0 108.749 -177.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.3 pt -99.3 153.46 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.585 0.754 . . . . 0.0 110.927 -176.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -129.95 76.63 77.91 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.303 1.441 . . . . 0.0 111.094 -171.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -84.79 146.89 10.61 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.709 2.939 . . . . 0.0 112.013 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -159.37 162.42 35.84 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.824 1.65 . . . . 0.0 111.94 -170.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.64 134.99 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 O-C-N 121.186 -0.946 . . . . 0.0 110.913 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.4 133.34 36.56 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.886 0.875 . . . . 0.0 113.193 -175.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -63.87 139.56 97.67 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 124.445 1.098 . . . . 0.0 110.391 169.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.41 158.19 56.84 Favored 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.64 2.893 . . . . 0.0 112.982 -173.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -138.22 164.64 28.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.339 2.255 . . . . 0.0 110.482 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -127.62 119.33 25.67 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.189 1.396 . . . . 0.0 110.729 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -164.55 165.61 21.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.173 2.189 . . . . 0.0 110.602 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -143.91 151.92 54.0 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.256 1.422 . . . . 0.0 110.589 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -79.41 64.73 8.88 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 124.274 3.316 . . . . 0.0 110.023 172.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.602 1.561 . . . . 0.0 111.838 -169.695 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 0 O4'-C4'-C3' 108.843 2.388 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.167 0 O4'-C1'-N19 111.189 2.989 . 0.093 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 100.269 -2.431 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.342 1 O4'-C1'-N19 113.944 5.744 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 1 O4'-C1'-N19 112.508 4.308 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 tttt . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 81.7 mtp -143.05 137.55 29.32 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.091 1.756 . . . . 0.0 112.087 -169.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -80.05 140.17 36.62 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.901 1.68 . . . . 0.0 108.014 167.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 mm -124.02 101.14 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.44 1.096 . . . . 0.0 109.261 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.35 172.49 34.78 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 124.192 0.901 . . . . 0.0 113.201 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.87 17.96 75.72 Favored Glycine 0 CA--C 1.536 1.39 0 N-CA-C 115.378 0.911 . . . . 0.0 115.378 170.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.45 167.0 11.4 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.966 1.306 . . . . 0.0 112.205 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -82.85 153.51 25.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.408 0.683 . . . . 0.0 111.311 170.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -62.71 -12.94 27.01 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.885 -1.134 . . . . 0.0 112.693 168.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -95.12 -7.49 39.23 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.162 1.385 . . . . 0.0 113.202 174.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.6 m -71.4 138.13 48.89 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.42 1.009 . . . . 0.0 110.803 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.6 p -119.31 164.32 15.84 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.17 1.788 . . . . 0.0 109.754 172.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.3 -23.95 64.8 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.22 -35.55 71.55 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.93 -0.481 . . . . 0.0 110.566 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.71 -34.39 83.19 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.391 0.995 . . . . 0.0 112.223 172.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.35 -51.06 70.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.462 1.131 . . . . 0.0 110.688 169.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.5 ttt85 -56.44 -38.29 71.42 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.127 0.876 . . . . 0.0 112.314 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.91 -35.16 75.97 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.079 0.952 . . . . 0.0 113.062 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -87.19 -39.45 15.47 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.529 1.131 . . . . 0.0 113.304 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -83.32 -15.36 50.34 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 -174.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.92 -10.9 41.64 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.705 1.145 . . . . 0.0 114.443 171.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -73.04 -25.35 60.9 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.959 1.303 . . . . 0.0 112.605 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -102.39 -24.11 13.88 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.08 1.352 . . . . 0.0 112.404 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 168.36 167.78 29.5 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 125.646 1.593 . . . . 0.0 112.453 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -68.26 127.47 33.06 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 122.176 -0.603 . . . . 0.0 109.963 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 m -85.24 133.65 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.893 0.854 . . . . 0.0 110.768 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -83.44 -24.64 31.77 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.982 2.113 . . . . 0.0 112.757 176.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -164.13 148.43 9.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.407 1.883 . . . . 0.0 109.073 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.0 p -145.75 145.5 30.86 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.111 1.364 . . . . 0.0 110.257 171.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.8 mt -148.28 147.31 29.19 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.511 1.524 . . . . 0.0 110.944 -174.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.2 t -132.53 126.17 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.971 1.308 . . . . 0.0 107.625 168.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.4 mmt -85.98 52.85 2.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.309 1.444 . . . . 0.0 112.031 -170.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -73.06 148.71 43.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.481 1.513 . . . . 0.0 113.582 -175.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -74.68 129.65 83.18 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 125.004 1.322 . . . . 0.0 109.728 170.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.9 -10.91 12.66 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.482 2.121 . . . . 0.0 114.284 -173.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -91.51 -45.28 8.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.488 1.04 . . . . 0.0 110.776 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.0 p -102.57 -11.65 18.34 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.146 0.979 . . . . 0.0 113.194 -172.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 65.73 3.31 2.43 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.977 2.511 . . . . 0.0 113.572 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -56.78 129.01 39.46 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.532 1.533 . . . . 0.0 110.194 171.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.2 p -72.03 -6.32 41.43 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.844 1.258 . . . . 0.0 114.26 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 61.33 4.79 0.99 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.138 1.775 . . . . 0.0 112.414 -167.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.16 19.13 79.84 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 118.14 -1.367 . . . . 0.0 114.138 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -156.79 160.86 39.64 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.97 1.885 . . . . 0.0 115.061 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.71 -157.04 8.28 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.87 1.7 . . . . 0.0 113.261 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -146.06 150.54 36.16 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.734 1.613 . . . . 0.0 111.096 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.6 t -143.34 139.9 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.859 1.264 . . . . 0.0 110.057 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.3 m -119.76 139.7 51.89 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.987 1.715 . . . . 0.0 108.607 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -101.06 153.57 19.45 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.375 1.07 . . . . 0.0 111.849 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.6 mmt -65.63 -13.77 59.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.188 0.995 . . . . 0.0 113.669 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -154.53 154.26 32.81 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.088 1.755 . . . . 0.0 110.93 173.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -59.6 -25.99 65.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.622 1.169 . . . . 0.0 112.957 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -23.82 59.3 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.58 -33.04 28.91 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-N 119.082 0.855 . . . . 0.0 112.954 172.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.14 -47.39 90.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 117.848 0.824 . . . . 0.0 109.162 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -51.66 -45.52 63.42 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.488 1.115 . . . . 0.0 112.72 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -65.49 -39.07 91.48 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.99 -29.39 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.094 0.558 . . . . 0.0 111.12 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 mt -78.77 -38.57 38.27 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.297 -0.877 . . . . 0.0 112.149 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.2 -25.1 63.26 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -83.06 139.99 32.93 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.449 1.1 . . . . 0.0 111.049 176.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -83.67 -14.62 51.39 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 -169.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -159.02 148.08 18.57 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.04 1.336 . . . . 0.0 111.79 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -138.35 154.27 48.96 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.7 1.6 . . . . 0.0 110.701 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -153.91 132.44 12.11 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.289 1.036 . . . . 0.0 110.621 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -148.68 127.44 12.55 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.362 1.465 . . . . 0.0 108.98 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 57.92 38.0 26.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.883 1.673 . . . . 0.0 112.821 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.5 m 66.97 17.16 10.49 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.174 1.79 . . . . 0.0 114.173 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -117.14 131.66 56.84 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.833 1.653 . . . . 0.0 109.652 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -67.69 117.08 9.13 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.757 1.223 . . . . 0.0 108.712 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 pt -98.06 157.38 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-O 121.341 0.591 . . . . 0.0 111.114 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -129.14 78.84 75.47 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.475 1.51 . . . . 0.0 110.921 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -87.83 142.55 5.74 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.692 2.928 . . . . 0.0 111.774 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -158.27 164.22 36.65 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.758 1.623 . . . . 0.0 111.936 -170.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.55 134.21 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 O-C-N 121.1 -1.0 . . . . 0.0 110.622 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 123.973 0.909 . . . . 0.0 112.899 -177.121 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.3 tttt . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.9 mtp -138.76 136.12 35.39 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 125.676 1.59 . . . . 0.0 111.929 -172.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -81.3 138.01 35.74 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.836 1.654 . . . . 0.0 107.408 167.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.9 mm -119.41 99.55 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.108 0.963 . . . . 0.0 108.65 -175.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.41 169.66 29.18 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.207 0.908 . . . . 0.0 113.237 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.45 16.66 79.89 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.009 0.814 . . . . 0.0 114.974 172.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.75 164.83 16.27 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.69 1.196 . . . . 0.0 112.653 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 t -80.1 149.6 30.56 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.623 0.769 . . . . 0.0 109.698 168.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -60.23 -13.67 13.7 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.857 -1.152 . . . . 0.0 113.578 169.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -101.51 0.46 36.63 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.003 1.321 . . . . 0.0 113.336 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.9 m -69.41 138.28 53.46 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.615 1.098 . . . . 0.0 110.045 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.1 p -117.85 162.33 18.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.896 1.678 . . . . 0.0 110.176 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.05 -24.81 64.22 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.38 -36.32 76.69 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.0 -0.437 . . . . 0.0 110.289 168.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.05 -34.92 82.77 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.477 1.037 . . . . 0.0 112.436 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.48 -51.71 68.3 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.545 1.173 . . . . 0.0 110.472 169.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -56.47 -38.77 72.16 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.003 0.82 . . . . 0.0 112.372 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.29 -35.39 77.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.056 0.942 . . . . 0.0 112.757 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -85.22 -39.62 17.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.412 1.085 . . . . 0.0 113.256 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -84.14 -16.9 41.89 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -173.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.29 -10.69 49.26 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.543 1.068 . . . . 0.0 114.375 170.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.18 -26.05 61.92 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.673 1.189 . . . . 0.0 112.491 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -103.43 -29.99 10.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.789 1.236 . . . . 0.0 112.654 -173.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.35 162.93 28.48 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 125.76 1.648 . . . . 0.0 112.143 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -67.45 128.33 36.03 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 117.319 0.56 . . . . 0.0 110.06 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 m -86.32 136.23 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 121.473 0.654 . . . . 0.0 110.84 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -84.38 -25.68 28.93 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.191 1.796 . . . . 0.0 112.603 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -166.29 146.02 6.04 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.836 2.055 . . . . 0.0 108.6 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -139.59 147.51 41.23 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.983 1.313 . . . . 0.0 110.299 171.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mt -149.74 141.93 24.08 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.052 1.341 . . . . 0.0 111.103 -172.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -127.55 125.67 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 167.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.5 mmm -91.77 54.83 2.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.191 0.996 . . . . 0.0 111.673 -168.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -74.09 157.1 36.65 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 -169.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -70.0 125.72 92.11 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 124.702 1.201 . . . . 0.0 109.071 168.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.76 -15.93 16.72 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 121.938 1.758 . . . . 0.0 113.467 -177.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.43 -48.24 12.16 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.802 0.841 . . . . 0.0 111.62 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.9 p -109.75 -8.08 14.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.524 1.53 . . . . 0.0 113.583 -169.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 67.89 2.37 3.07 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.02 2.528 . . . . 0.0 113.728 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -55.34 128.98 36.71 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.428 1.491 . . . . 0.0 110.489 172.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.9 p -63.55 -10.03 16.13 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 62.29 9.31 3.19 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.251 1.82 . . . . 0.0 112.461 -169.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.29 15.63 81.32 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 117.68 -1.622 . . . . 0.0 114.353 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -153.99 156.54 37.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.992 1.896 . . . . 0.0 115.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.14 -159.76 9.15 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.123 1.821 . . . . 0.0 112.931 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -149.12 146.29 27.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.169 1.788 . . . . 0.0 110.61 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.0 t -142.24 132.54 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.291 1.036 . . . . 0.0 110.381 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 m -110.18 142.44 41.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.751 2.02 . . . . 0.0 108.175 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -110.5 153.8 24.56 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.297 1.039 . . . . 0.0 111.984 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.9 mmt -68.02 -15.92 63.81 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.264 1.025 . . . . 0.0 113.524 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -157.52 156.23 31.67 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.099 1.76 . . . . 0.0 111.045 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -60.28 -31.06 69.88 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.507 1.123 . . . . 0.0 112.458 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.63 -19.42 57.98 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -175.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.97 -26.38 24.4 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.579 1.082 . . . . 0.0 113.598 170.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.93 -45.85 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.463 1.131 . . . . 0.0 108.941 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -42.1 80.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.692 1.197 . . . . 0.0 112.563 -177.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -63.67 -38.86 92.73 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -70.73 -30.52 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.226 0.611 . . . . 0.0 111.181 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.53 -38.6 48.43 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.499 -0.75 . . . . 0.0 111.981 173.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.59 -22.98 62.5 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -87.47 136.7 32.84 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.732 1.213 . . . . 0.0 110.78 175.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m -83.92 -9.77 58.47 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 -169.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -162.55 146.15 11.49 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.004 1.322 . . . . 0.0 111.712 -172.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -143.62 154.48 43.6 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.659 1.584 . . . . 0.0 110.722 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -152.93 132.99 13.4 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.119 0.968 . . . . 0.0 110.748 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.7 tp -150.74 132.31 14.81 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.644 1.578 . . . . 0.0 109.309 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 t70 57.15 34.8 25.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.611 1.564 . . . . 0.0 112.604 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 m 66.51 19.91 10.87 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.073 1.749 . . . . 0.0 113.725 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -120.11 135.27 55.01 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.715 1.606 . . . . 0.0 109.737 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.0 m -75.04 118.48 18.04 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.488 1.115 . . . . 0.0 108.62 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.8 pt -102.99 158.13 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.89 0.876 . . . . 0.0 111.553 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -127.69 83.48 65.96 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 125.613 1.565 . . . . 0.0 110.243 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -87.55 134.35 3.35 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.786 2.991 . . . . 0.0 110.449 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -154.42 164.49 38.56 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.284 1.434 . . . . 0.0 112.153 -169.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.89 132.51 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 121.188 -0.945 . . . . 0.0 110.999 -174.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 123.967 0.907 . . . . 0.0 112.641 -178.434 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.7 tttt . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.7 mtp -139.23 136.73 35.28 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.711 1.604 . . . . 0.0 112.152 -173.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -80.78 136.44 36.13 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.806 1.643 . . . . 0.0 107.438 167.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mm -118.44 99.22 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.02 172.99 37.4 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.111 0.862 . . . . 0.0 112.777 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.64 15.62 73.48 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.947 0.784 . . . . 0.0 114.842 172.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.58 163.34 16.37 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.418 1.087 . . . . 0.0 111.953 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.3 t -81.98 153.0 26.45 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.893 -0.504 . . . . 0.0 111.267 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.64 -9.64 14.83 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.128 -0.983 . . . . 0.0 113.014 168.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -99.45 -5.43 29.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.278 1.431 . . . . 0.0 113.489 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.4 m -71.57 142.66 50.04 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.59 1.087 . . . . 0.0 110.964 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.5 p -123.17 162.75 21.92 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.209 1.804 . . . . 0.0 110.291 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.48 -28.96 69.58 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.89 -36.46 78.09 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.217 0.462 . . . . 0.0 110.846 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.65 -34.04 86.25 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 118.993 -0.893 . . . . 0.0 112.366 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.02 -51.86 66.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.6 1.2 . . . . 0.0 110.691 169.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -56.53 -38.27 71.63 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.141 0.882 . . . . 0.0 112.348 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.51 -34.45 74.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.136 0.975 . . . . 0.0 112.854 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -88.78 -39.05 14.2 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.51 1.124 . . . . 0.0 113.295 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -84.25 -17.23 40.4 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -173.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.01 -9.94 49.36 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.578 1.085 . . . . 0.0 114.385 170.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -71.4 -25.98 62.58 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.576 1.151 . . . . 0.0 112.367 171.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -103.58 -37.45 7.54 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.009 1.323 . . . . 0.0 111.708 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.13 159.48 27.77 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.118 1.342 . . . . 0.0 112.386 174.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.76 133.08 52.86 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.905 0.482 . . . . 0.0 110.027 175.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.7 m -92.61 134.78 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.835 0.826 . . . . 0.0 111.273 -175.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -85.1 -25.22 27.66 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.041 2.136 . . . . 0.0 112.653 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -163.26 146.03 10.26 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.97 2.108 . . . . 0.0 108.294 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 p -148.16 135.03 20.08 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.261 1.425 . . . . 0.0 109.553 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.87 152.1 40.72 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.28 1.432 . . . . 0.0 111.124 -170.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -136.8 127.99 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.654 1.582 . . . . 0.0 107.1 169.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.3 mmt -90.54 49.29 1.65 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.375 1.07 . . . . 0.0 112.168 -169.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -67.32 146.13 54.41 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -74.59 132.17 78.7 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.634 1.574 . . . . 0.0 110.174 173.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.59 -12.12 12.59 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.473 2.116 . . . . 0.0 114.001 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.6 mt -90.9 -39.42 12.3 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.461 1.028 . . . . 0.0 111.567 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -109.87 -12.84 14.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.451 1.501 . . . . 0.0 113.344 -173.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 65.84 2.32 2.13 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.776 2.431 . . . . 0.0 113.599 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -57.56 130.76 47.8 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.259 1.824 . . . . 0.0 110.062 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 85.9 p -69.77 -6.1 29.88 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 62.45 7.01 2.15 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.157 1.783 . . . . 0.0 112.277 -168.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.16 14.65 82.37 Favored Glycine 0 C--N 1.341 0.851 0 C-N-CA 125.175 1.369 . . . . 0.0 114.596 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -156.27 161.07 40.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.756 1.778 . . . . 0.0 115.411 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.75 -157.01 8.05 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 126.054 1.787 . . . . 0.0 112.709 174.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -146.63 149.65 33.92 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.072 1.349 . . . . 0.0 111.159 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.9 t -141.47 133.09 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.287 1.035 . . . . 0.0 110.279 172.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.3 m -110.87 141.33 44.4 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.433 1.893 . . . . 0.0 107.933 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -108.81 153.58 23.3 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.405 1.082 . . . . 0.0 111.76 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.2 mmt -67.59 -16.23 64.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.202 1.001 . . . . 0.0 113.473 173.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -156.61 156.0 32.78 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.998 1.719 . . . . 0.0 111.14 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -62.01 -24.27 66.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.753 1.221 . . . . 0.0 113.061 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.81 -24.94 62.65 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.75 -38.35 16.76 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-N 119.188 0.904 . . . . 0.0 112.527 172.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.66 -48.63 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.897 0.879 . . . . 0.0 109.502 174.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.77 -46.2 67.47 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.682 1.193 . . . . 0.0 112.662 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -66.14 -36.66 83.71 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.04 -32.24 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.009 0.524 . . . . 0.0 111.041 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.7 mt -76.5 -37.82 56.21 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.446 -0.784 . . . . 0.0 112.081 174.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.35 -13.94 62.36 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -100.51 133.7 44.57 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.247 1.419 . . . . 0.0 110.423 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.8 m -88.14 -3.87 58.82 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -169.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.1 tpt85 -158.54 135.98 10.14 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.399 1.48 . . . . 0.0 110.925 -169.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -140.61 160.97 38.85 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.057 1.343 . . . . 0.0 110.877 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -159.49 135.17 8.54 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.936 0.894 . . . . 0.0 111.616 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -152.56 132.03 12.97 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.742 1.617 . . . . 0.0 108.588 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.9 t70 59.34 30.22 19.9 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.284 1.433 . . . . 0.0 112.296 -169.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.9 m 64.56 18.07 11.19 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.112 1.765 . . . . 0.0 113.358 -175.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -114.42 136.45 52.98 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.013 1.725 . . . . 0.0 109.821 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.6 m -77.36 109.62 11.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.054 0.941 . . . . 0.0 109.391 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.4 pt -93.81 157.52 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 121.326 0.584 . . . . 0.0 111.552 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -134.29 81.24 50.36 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 125.58 1.552 . . . . 0.0 110.525 -172.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -87.38 143.67 6.54 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.971 3.114 . . . . 0.0 111.722 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -157.65 162.15 38.65 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.57 1.548 . . . . 0.0 112.222 -170.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.01 133.57 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 121.336 -0.853 . . . . 0.0 110.657 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.676 0 C-N-CA 123.765 0.826 . . . . 0.0 111.876 179.107 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.8 tttt . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.8 mtp -142.69 138.11 30.35 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 126.291 1.837 . . . . 0.0 111.802 -171.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -81.3 138.42 35.71 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.709 1.603 . . . . 0.0 107.158 167.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 mm -118.13 105.04 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.163 0.985 . . . . 0.0 108.561 -176.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.61 166.45 21.69 Favored Glycine 0 N--CA 1.473 1.116 0 C-N-CA 124.301 0.953 . . . . 0.0 113.15 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.42 16.06 80.09 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.371 0.986 . . . . 0.0 114.951 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.32 166.1 8.61 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.441 1.121 . . . . 0.0 112.342 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -83.04 151.48 25.79 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.247 0.619 . . . . 0.0 111.005 171.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -65.3 -7.06 11.55 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 120.886 -1.134 . . . . 0.0 114.037 173.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -116.7 9.06 13.93 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.755 1.622 . . . . 0.0 113.396 173.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.0 m -67.96 140.67 56.43 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.314 0.961 . . . . 0.0 109.608 171.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.2 p -116.8 159.97 21.53 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.609 1.564 . . . . 0.0 110.281 175.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -68.18 -25.14 65.09 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.06 -36.59 75.09 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.937 -0.477 . . . . 0.0 110.549 168.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.57 -34.06 86.45 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.564 1.078 . . . . 0.0 112.376 172.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.96 -51.24 70.12 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 118.407 1.104 . . . . 0.0 111.005 169.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.6 -39.92 74.41 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.213 0.915 . . . . 0.0 112.134 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.38 -34.0 71.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.089 0.956 . . . . 0.0 112.954 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.71 -41.18 13.53 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.284 1.034 . . . . 0.0 113.363 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -81.47 -18.72 44.25 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -173.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.94 -10.81 48.22 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.654 1.121 . . . . 0.0 114.458 171.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.85 -26.9 63.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.6 1.16 . . . . 0.0 112.426 171.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -100.25 -35.61 9.57 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.38 1.472 . . . . 0.0 111.36 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.98 153.7 11.53 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 126.226 1.87 . . . . 0.0 111.24 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.86 144.85 54.26 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 117.98 0.89 . . . . 0.0 110.743 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 m -99.68 132.52 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 124.171 0.988 . . . . 0.0 110.888 -172.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -80.62 -23.79 39.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.526 1.93 . . . . 0.0 112.396 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -165.15 146.04 7.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.05 2.14 . . . . 0.0 108.481 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.98 143.6 28.55 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.742 1.217 . . . . 0.0 110.215 173.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.6 mt -148.63 145.04 27.58 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.046 1.338 . . . . 0.0 111.433 -171.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.88 127.41 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.034 1.334 . . . . 0.0 107.631 168.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.7 mmt -88.1 43.62 1.14 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.125 1.37 . . . . 0.0 112.518 -170.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -69.52 142.96 53.56 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -82.61 133.64 49.16 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 124.825 1.25 . . . . 0.0 111.337 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -73.37 -15.4 25.11 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.948 2.432 . . . . 0.0 113.456 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.24 -30.98 58.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.553 1.141 . . . . 0.0 113.555 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.7 p -136.79 -6.24 1.92 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.674 1.59 . . . . 0.0 114.174 -173.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 64.38 7.21 3.46 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.586 2.354 . . . . 0.0 113.72 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -68.93 133.57 48.38 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.851 1.26 . . . . 0.0 110.555 176.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.7 p -77.2 -9.16 58.6 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.348 1.459 . . . . 0.0 114.082 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 60.24 10.11 2.21 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.764 1.626 . . . . 0.0 112.242 -167.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.49 23.18 76.09 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-O 117.562 -1.688 . . . . 0.0 114.434 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -149.96 157.67 43.4 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.338 2.069 . . . . 0.0 116.343 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.4 -160.13 9.96 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 126.483 1.992 . . . . 0.0 112.665 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -146.94 149.14 32.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.586 1.555 . . . . 0.0 111.145 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.6 t -143.14 135.91 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.536 1.134 . . . . 0.0 110.326 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.9 m -112.84 139.53 48.4 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.074 1.75 . . . . 0.0 108.201 171.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -103.48 149.86 24.44 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.284 1.034 . . . . 0.0 111.175 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.6 mtp -69.68 -10.62 59.0 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -152.89 152.47 31.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.176 1.791 . . . . 0.0 110.766 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -60.63 -25.98 66.7 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.717 1.207 . . . . 0.0 112.781 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.23 -24.22 58.51 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.33 -35.51 26.32 Favored Glycine 0 N--CA 1.469 0.871 0 CA-C-N 119.062 0.847 . . . . 0.0 112.7 172.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.71 -48.02 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 117.89 0.845 . . . . 0.0 109.31 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.8 -44.98 63.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.338 1.055 . . . . 0.0 112.695 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -67.31 -37.61 83.64 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.61 -30.5 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.064 0.545 . . . . 0.0 111.012 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -77.78 -38.63 46.25 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.437 -0.789 . . . . 0.0 112.087 173.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.22 -19.51 63.15 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -94.11 135.81 35.07 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.009 1.324 . . . . 0.0 110.661 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m -83.19 -9.76 58.99 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -169.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -162.77 146.36 11.22 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.021 1.328 . . . . 0.0 111.618 -173.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -143.16 156.77 44.85 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.701 1.6 . . . . 0.0 110.774 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -153.43 132.57 12.63 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.312 -0.868 . . . . 0.0 111.229 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.9 tp -149.89 132.34 15.67 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.036 1.734 . . . . 0.0 108.804 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.5 t70 59.38 30.11 19.76 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.267 1.427 . . . . 0.0 112.498 -171.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m 65.14 17.29 10.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.242 1.817 . . . . 0.0 113.656 -174.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -112.86 136.1 52.88 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.795 1.638 . . . . 0.0 109.413 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.3 m -79.37 115.25 18.9 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.897 0.879 . . . . 0.0 109.124 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.1 pt -101.72 148.33 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.61 0.764 . . . . 0.0 111.247 -175.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -129.09 71.53 81.98 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 125.51 1.524 . . . . 0.0 111.286 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.04 149.27 28.53 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 124.113 3.208 . . . . 0.0 112.227 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -159.53 162.4 35.44 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.684 1.594 . . . . 0.0 112.108 -170.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.85 135.45 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 123.993 0.917 . . . . 0.0 110.889 -176.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -175.069 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.9 tttt . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 81.8 mtp -143.31 139.11 29.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.309 1.844 . . . . 0.0 111.904 -171.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -84.07 138.51 33.02 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.885 1.674 . . . . 0.0 107.525 167.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.8 mm -119.61 106.04 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.124 0.97 . . . . 0.0 108.948 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.8 166.54 20.43 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.206 0.908 . . . . 0.0 113.423 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.78 15.19 80.9 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.388 0.994 . . . . 0.0 115.066 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.58 162.47 8.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.849 1.26 . . . . 0.0 112.369 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -77.41 147.88 35.79 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.791 -0.568 . . . . 0.0 109.874 168.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -58.77 -17.96 27.8 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -106.63 6.93 30.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.079 1.352 . . . . 0.0 113.744 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.3 m -65.05 133.12 50.95 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.52 1.054 . . . . 0.0 109.416 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -108.7 161.86 14.7 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.462 1.505 . . . . 0.0 110.288 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.01 -22.86 64.04 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.26 -37.0 71.94 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.999 -0.438 . . . . 0.0 110.332 167.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.62 -33.33 84.14 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.738 1.161 . . . . 0.0 112.524 173.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.21 -51.23 69.86 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.418 1.109 . . . . 0.0 111.217 169.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -57.19 -39.39 75.27 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.419 1.009 . . . . 0.0 112.05 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.64 -34.78 73.24 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.92 0.888 . . . . 0.0 113.064 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -86.57 -40.65 14.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.383 1.073 . . . . 0.0 113.388 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -82.41 -17.59 44.91 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -173.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.1 -11.17 44.21 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.653 1.12 . . . . 0.0 114.429 171.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -71.41 -26.24 62.67 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.819 1.248 . . . . 0.0 112.44 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -100.93 -26.03 13.88 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.387 1.475 . . . . 0.0 111.874 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 166.49 158.95 11.56 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 126.32 1.914 . . . . 0.0 111.629 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.54 145.81 55.56 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 117.893 0.846 . . . . 0.0 110.707 175.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.5 m -104.86 133.8 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 124.676 1.191 . . . . 0.0 111.132 -170.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -79.76 -24.72 41.33 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.008 2.123 . . . . 0.0 112.33 176.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -163.89 145.68 9.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.429 1.892 . . . . 0.0 109.065 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.3 m -143.19 137.36 28.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.919 1.687 . . . . 0.0 108.961 172.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.4 mt -145.63 145.83 31.1 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.058 1.343 . . . . 0.0 111.599 -171.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.68 128.96 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.006 1.323 . . . . 0.0 108.158 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.8 mmt -93.56 47.33 1.23 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.294 1.437 . . . . 0.0 111.68 -170.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -63.03 160.11 15.75 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.987 1.315 . . . . 0.0 114.54 -171.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -76.93 129.9 77.36 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 125.458 1.503 . . . . 0.0 109.953 169.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.76 -12.47 13.55 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.48 2.12 . . . . 0.0 114.268 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -87.96 -44.02 11.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.517 1.053 . . . . 0.0 111.064 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.5 p -106.05 -12.78 15.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.204 1.402 . . . . 0.0 113.265 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 66.16 3.6 2.76 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.906 2.483 . . . . 0.0 113.418 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -57.55 127.98 34.74 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.409 1.884 . . . . 0.0 110.253 172.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.1 p -60.2 -12.1 7.87 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 62.17 10.94 4.05 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.424 1.89 . . . . 0.0 112.477 -169.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.54 14.91 81.62 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 117.445 -1.753 . . . . 0.0 114.563 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -153.27 157.0 39.5 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.509 2.154 . . . . 0.0 116.443 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.31 -161.54 10.66 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.348 1.927 . . . . 0.0 113.117 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -146.56 148.86 32.58 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.824 1.65 . . . . 0.0 110.758 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.4 t -143.83 138.47 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.609 1.163 . . . . 0.0 110.132 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.1 m -121.73 135.32 54.94 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.572 1.549 . . . . 0.0 108.497 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -95.06 154.76 17.03 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.022 0.929 . . . . 0.0 112.111 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -65.42 -16.5 63.69 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -154.75 154.57 33.04 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.211 1.804 . . . . 0.0 111.083 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -58.64 -26.7 64.01 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.768 1.227 . . . . 0.0 113.029 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.3 -23.69 57.19 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.54 -33.43 28.04 Favored Glycine 0 N--CA 1.47 0.908 0 CA-C-N 119.076 0.853 . . . . 0.0 112.904 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.83 -47.58 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.937 0.869 . . . . 0.0 109.13 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -51.87 -45.02 63.93 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.448 1.099 . . . . 0.0 112.641 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.53 -38.62 87.56 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.48 -29.38 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.975 0.51 . . . . 0.0 110.966 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.3 mt -78.78 -38.81 37.56 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.282 -0.886 . . . . 0.0 112.075 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.54 -24.05 63.67 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -87.71 135.26 33.45 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.673 1.189 . . . . 0.0 110.627 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -81.14 -11.44 59.46 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 -169.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -163.01 147.61 11.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.107 1.363 . . . . 0.0 111.696 -173.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -142.02 155.62 45.42 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.833 1.653 . . . . 0.0 110.718 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -153.77 132.38 12.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.078 0.951 . . . . 0.0 110.731 -174.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.4 tp -148.67 127.83 12.88 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.694 1.598 . . . . 0.0 109.036 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.0 t70 59.11 36.98 24.29 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.645 1.578 . . . . 0.0 112.562 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 m 65.78 19.54 11.37 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.898 1.679 . . . . 0.0 113.588 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -120.17 129.47 54.14 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.405 1.882 . . . . 0.0 109.126 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.5 m -73.98 120.0 18.97 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.506 1.122 . . . . 0.0 108.73 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -103.5 152.61 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.78 0.832 . . . . 0.0 111.234 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -128.19 75.28 78.95 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.557 1.543 . . . . 0.0 110.933 -172.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -82.33 147.52 14.37 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.833 3.022 . . . . 0.0 111.851 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -157.98 159.65 36.66 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.572 1.549 . . . . 0.0 111.977 -169.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.27 135.58 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 O-C-N 121.319 -0.863 . . . . 0.0 110.731 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.364 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 tttp . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.5 mtp -141.21 137.52 32.67 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.504 1.522 . . . . 0.0 112.362 -173.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -83.57 138.16 33.51 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.601 1.561 . . . . 0.0 107.924 167.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.9 mm -120.34 101.82 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.23 1.012 . . . . 0.0 108.774 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.44 168.89 25.69 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.202 0.906 . . . . 0.0 113.319 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.72 16.14 80.4 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.189 0.899 . . . . 0.0 115.153 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt -65.25 164.49 13.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.766 1.226 . . . . 0.0 112.679 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.8 t -84.38 153.09 23.65 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.991 0.916 . . . . 0.0 111.136 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -67.8 -2.86 7.92 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.985 -1.072 . . . . 0.0 112.889 168.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -101.97 -4.72 25.64 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.007 1.323 . . . . 0.0 113.028 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.4 m -71.96 141.4 49.42 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.56 1.073 . . . . 0.0 110.809 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.6 p -121.98 161.88 22.12 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.438 1.895 . . . . 0.0 110.084 174.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -70.0 -29.32 66.37 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.972 0.509 . . . . 0.0 112.358 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.44 -38.85 92.74 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.653 0.781 . . . . 0.0 110.254 168.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.91 -33.05 78.61 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.92 1.248 . . . . 0.0 112.717 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.33 -50.15 72.75 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.927 1.364 . . . . 0.0 110.96 169.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -56.78 -40.11 75.29 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.73 1.15 . . . . 0.0 111.972 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -60.46 -33.15 72.14 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.772 0.829 . . . . 0.0 112.857 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -88.58 -29.97 19.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.867 1.267 . . . . 0.0 114.355 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.18 -17.36 20.88 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.3 -11.13 58.66 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.573 1.083 . . . . 0.0 114.913 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.8 -15.88 57.85 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.874 1.27 . . . . 0.0 113.217 172.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -100.7 -33.62 10.19 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.55 1.14 . . . . 0.0 111.508 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.89 154.0 11.04 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.032 1.777 . . . . 0.0 111.267 173.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.29 145.0 54.92 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 117.68 0.74 . . . . 0.0 110.622 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.2 m -102.6 133.92 44.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 124.293 1.037 . . . . 0.0 110.897 -171.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -83.43 -22.94 32.5 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.861 2.064 . . . . 0.0 112.834 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -164.71 146.46 8.17 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.138 2.175 . . . . 0.0 108.19 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.3 p -145.59 140.84 27.68 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.777 1.231 . . . . 0.0 110.012 174.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.6 mt -145.22 143.73 30.43 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.334 1.454 . . . . 0.0 111.262 -169.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.5 t -134.34 127.6 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 167.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.9 mmt -85.82 53.19 2.69 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.394 1.078 . . . . 0.0 111.92 -169.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -84.34 151.13 24.93 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -173.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -85.05 129.14 57.26 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 123.847 0.859 . . . . 0.0 109.427 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.79 -15.44 19.06 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.044 2.496 . . . . 0.0 113.678 -174.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.11 -30.0 49.26 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.3 1.04 . . . . 0.0 113.18 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 73.8 p -128.18 -13.6 5.01 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.117 1.767 . . . . 0.0 113.798 -170.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 64.2 6.64 3.05 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.546 2.338 . . . . 0.0 113.919 -174.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.5 mtm105 -53.11 122.24 9.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.605 1.162 . . . . 0.0 109.766 169.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.1 p -88.27 -5.69 58.21 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 63.48 5.1 1.97 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.151 1.78 . . . . 0.0 112.63 -168.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.39 20.05 78.01 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 118.023 -1.432 . . . . 0.0 113.981 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -154.12 159.07 41.31 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.778 1.789 . . . . 0.0 115.437 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.26 -158.63 9.11 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.665 1.602 . . . . 0.0 113.036 173.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -146.17 149.42 33.93 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.593 1.557 . . . . 0.0 110.829 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.2 t -140.36 137.82 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.403 1.081 . . . . 0.0 109.781 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -116.33 136.79 52.69 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.095 1.758 . . . . 0.0 107.391 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -104.09 152.47 22.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.032 0.933 . . . . 0.0 111.77 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.15 -14.5 62.97 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.982 0.913 . . . . 0.0 113.461 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -156.63 153.7 28.99 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.021 1.728 . . . . 0.0 110.931 173.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -62.24 -24.51 67.29 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.213 1.005 . . . . 0.0 112.256 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.62 -19.87 52.08 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.41 -37.57 10.74 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.938 0.79 . . . . 0.0 112.439 170.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.6 t -60.81 -47.74 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.944 0.897 . . . . 0.0 109.518 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.44 -45.72 69.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.732 1.213 . . . . 0.0 112.499 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -68.14 -33.22 74.08 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.81 -39.09 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.171 0.441 . . . . 0.0 110.479 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -71.08 -36.55 72.29 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.195 -0.941 . . . . 0.0 112.216 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.81 -16.55 63.3 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -91.65 142.64 27.4 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.578 1.151 . . . . 0.0 111.507 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 p -79.24 -24.45 43.02 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -170.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -154.19 146.61 23.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.536 1.534 . . . . 0.0 111.581 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -133.66 153.38 51.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.292 1.437 . . . . 0.0 110.981 173.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -157.31 129.34 7.17 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.86 0.864 . . . . 0.0 111.01 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -149.11 127.3 12.08 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.546 1.538 . . . . 0.0 108.539 -175.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 59.06 33.0 22.69 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.503 1.521 . . . . 0.0 112.955 -170.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.7 m 65.07 20.92 12.16 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.666 1.587 . . . . 0.0 113.677 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -113.33 132.34 55.61 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.068 1.747 . . . . 0.0 109.232 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.4 m -66.42 117.99 9.43 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 173.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.0 pt -101.53 156.73 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.417 0.627 . . . . 0.0 110.732 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -129.65 81.44 69.56 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 125.046 1.338 . . . . 0.0 110.626 -173.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -86.45 140.09 6.17 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.901 3.067 . . . . 0.0 111.136 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.58 160.98 40.92 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.418 1.487 . . . . 0.0 111.831 -169.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.35 133.79 27.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 O-C-N 121.443 -0.786 . . . . 0.0 110.522 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 123.731 0.812 . . . . 0.0 111.174 178.391 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mtp -137.94 137.0 37.54 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.811 1.644 . . . . 0.0 112.358 -173.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -83.21 135.7 34.68 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.891 1.676 . . . . 0.0 107.038 167.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.6 mm -116.04 100.79 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.151 0.98 . . . . 0.0 108.52 -173.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.41 164.44 22.19 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.242 0.925 . . . . 0.0 113.453 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.85 15.76 80.82 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.37 0.986 . . . . 0.0 115.105 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.71 166.98 7.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.896 1.278 . . . . 0.0 113.011 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 t -84.52 152.87 23.64 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.913 0.885 . . . . 0.0 110.652 169.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -68.26 -5.46 18.55 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.922 -1.111 . . . . 0.0 112.821 169.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -96.59 -7.57 34.02 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.75 1.22 . . . . 0.0 112.985 169.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -71.54 138.43 48.85 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.597 1.09 . . . . 0.0 110.527 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.8 p -119.83 163.72 17.07 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.978 1.711 . . . . 0.0 109.819 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.92 -24.19 65.17 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.73 -38.56 80.29 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 122.897 0.479 . . . . 0.0 110.247 168.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.6 -34.06 82.78 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.529 1.061 . . . . 0.0 112.5 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.94 -52.38 65.29 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.495 1.147 . . . . 0.0 110.489 169.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -55.8 -39.03 70.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.108 0.867 . . . . 0.0 112.286 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.94 -35.3 76.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.087 0.955 . . . . 0.0 112.944 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.17 -39.39 16.7 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.392 1.077 . . . . 0.0 113.237 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -84.16 -17.06 41.25 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -172.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.37 -10.49 48.6 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.608 1.099 . . . . 0.0 114.39 170.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.17 -25.84 61.84 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.669 1.188 . . . . 0.0 112.444 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -103.08 -38.2 7.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.936 1.294 . . . . 0.0 111.722 -174.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.78 159.79 29.58 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.212 1.387 . . . . 0.0 112.246 174.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.98 128.68 36.87 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.19 0.495 . . . . 0.0 109.973 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 m -85.79 136.91 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.512 0.672 . . . . 0.0 110.889 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -89.59 -22.61 22.26 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.37 1.868 . . . . 0.0 112.936 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -166.62 142.98 4.69 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.511 2.324 . . . . 0.0 107.793 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.1 p -141.12 144.54 34.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.691 1.196 . . . . 0.0 109.911 172.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.9 mt -149.21 144.06 26.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.49 1.116 . . . . 0.0 111.617 -169.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -129.47 126.53 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.133 1.373 . . . . 0.0 107.363 168.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.5 mmt -90.83 43.03 1.13 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.454 1.502 . . . . 0.0 113.011 -168.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -63.68 153.14 37.07 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.726 1.21 . . . . 0.0 113.986 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -78.43 129.63 74.07 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.512 1.125 . . . . 0.0 109.929 170.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.5 -11.25 14.39 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 122.446 2.098 . . . . 0.0 114.229 -173.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.08 -44.84 10.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.556 1.071 . . . . 0.0 111.187 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.9 p -109.76 -8.93 14.86 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.062 1.345 . . . . 0.0 113.579 -171.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 68.12 2.98 3.42 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.568 2.347 . . . . 0.0 113.896 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -58.15 135.04 56.98 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.256 0.935 . . . . 0.0 110.761 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.7 p -76.97 -10.27 59.25 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 60.01 14.03 4.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.917 1.687 . . . . 0.0 112.172 -168.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.45 23.31 78.14 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-O 117.881 -1.51 . . . . 0.0 113.891 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -154.43 159.2 40.94 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.858 1.829 . . . . 0.0 115.842 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.04 -157.57 8.44 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.992 1.758 . . . . 0.0 112.738 173.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -147.35 147.92 30.82 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.691 1.596 . . . . 0.0 110.849 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.9 t -142.25 129.43 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.581 1.153 . . . . 0.0 110.507 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.5 m -104.66 143.75 32.65 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.667 1.987 . . . . 0.0 108.116 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -112.85 151.03 30.91 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.555 1.142 . . . . 0.0 111.491 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -67.17 -15.17 63.55 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.237 1.015 . . . . 0.0 113.463 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -156.26 156.07 33.44 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.163 1.785 . . . . 0.0 110.922 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -62.69 -24.42 67.64 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.556 1.142 . . . . 0.0 112.98 177.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.74 -25.06 62.61 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.19 -37.37 18.48 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.175 0.898 . . . . 0.0 112.636 172.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.7 -48.49 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 123.827 0.851 . . . . 0.0 109.342 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.66 -45.9 66.95 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.888 1.275 . . . . 0.0 112.624 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -66.18 -37.75 86.37 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.5 t -69.85 -29.21 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 122.954 0.502 . . . . 0.0 111.075 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.75 -39.07 37.13 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.318 -0.864 . . . . 0.0 111.973 173.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.39 -26.36 63.66 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -176.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -85.28 135.35 33.95 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.519 1.128 . . . . 0.0 110.744 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -81.14 -11.15 59.52 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -169.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -162.83 147.15 11.53 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.018 1.327 . . . . 0.0 111.729 -173.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -142.73 156.43 45.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.86 1.664 . . . . 0.0 110.641 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -153.81 132.53 12.27 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.964 0.906 . . . . 0.0 111.066 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.1 tp -149.8 129.57 13.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.732 1.613 . . . . 0.0 108.966 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t70 58.11 34.29 24.03 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.682 1.593 . . . . 0.0 112.668 -170.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.6 m 65.65 17.86 11.03 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.87 1.668 . . . . 0.0 113.643 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -114.47 131.7 56.53 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.094 1.757 . . . . 0.0 109.135 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 m -72.62 119.07 16.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.283 1.033 . . . . 0.0 108.701 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.3 pt -103.13 150.28 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.717 0.807 . . . . 0.0 111.038 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -127.86 68.97 76.1 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 125.52 1.528 . . . . 0.0 111.149 -172.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -74.37 148.2 38.0 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.93 3.087 . . . . 0.0 111.918 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -158.43 165.06 35.57 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.045 1.738 . . . . 0.0 111.661 -170.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.92 133.8 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 121.209 -0.932 . . . . 0.0 110.782 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.55 0 C-N-CA 124.179 0.992 . . . . 0.0 113.133 -176.839 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.8 tttt . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.6 mtp -140.68 137.73 33.75 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.924 1.69 . . . . 0.0 112.063 -171.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -82.4 138.1 34.54 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.087 1.755 . . . . 0.0 107.741 167.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.3 mm -120.23 99.45 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 124.179 0.992 . . . . 0.0 108.838 -176.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.8 172.0 36.64 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.041 0.829 . . . . 0.0 112.732 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.48 16.51 77.5 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.971 0.796 . . . . 0.0 114.992 171.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.5 163.09 19.29 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.581 1.152 . . . . 0.0 112.156 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.9 t -79.38 152.33 30.44 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.251 0.62 . . . . 0.0 110.906 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -62.52 -12.05 20.08 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.012 -1.055 . . . . 0.0 113.031 168.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.71 -6.71 35.77 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.805 1.242 . . . . 0.0 113.222 174.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 79.9 m -69.77 138.53 52.83 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.616 1.098 . . . . 0.0 110.588 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.6 p -119.59 163.39 17.41 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.056 1.742 . . . . 0.0 109.941 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -68.87 -23.24 64.19 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.21 -36.56 71.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.747 0.419 . . . . 0.0 110.349 168.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.39 -34.29 84.53 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.443 1.02 . . . . 0.0 112.298 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.12 -50.76 71.91 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 118.544 1.172 . . . . 0.0 110.775 169.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -56.88 -39.06 73.65 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.32 0.964 . . . . 0.0 112.228 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.33 -34.62 74.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.132 0.973 . . . . 0.0 112.961 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -87.62 -37.94 16.35 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.482 1.113 . . . . 0.0 113.437 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -86.24 -15.48 40.68 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -173.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.27 -9.74 44.11 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.502 1.049 . . . . 0.0 114.427 170.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -72.89 -25.71 61.17 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.768 1.227 . . . . 0.0 112.555 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -103.51 -32.64 9.37 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.916 1.286 . . . . 0.0 112.224 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.15 166.39 35.87 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.992 1.282 . . . . 0.0 112.496 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.63 127.1 31.51 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.344 -0.504 . . . . 0.0 109.776 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.4 m -86.15 137.63 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.646 0.736 . . . . 0.0 110.939 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -85.92 -26.1 25.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.2 1.8 . . . . 0.0 112.503 175.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -167.44 135.9 2.55 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.47 1.908 . . . . 0.0 108.935 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.1 m -125.76 142.29 51.58 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.975 1.31 . . . . 0.0 109.246 169.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.7 mt -143.9 143.41 31.26 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.796 1.239 . . . . 0.0 111.754 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -132.23 128.89 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.278 1.431 . . . . 0.0 107.753 168.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.8 mmt -89.54 44.6 1.22 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.06 1.344 . . . . 0.0 112.333 -169.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -66.47 150.36 49.06 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.54 128.96 84.81 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 124.868 1.267 . . . . 0.0 109.582 169.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.72 -11.73 12.58 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.594 2.196 . . . . 0.0 114.153 -174.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -91.88 -44.34 8.98 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.367 0.985 . . . . 0.0 110.816 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.8 p -104.37 -9.83 18.21 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.115 0.966 . . . . 0.0 113.157 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 67.66 1.6 2.67 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.377 2.671 . . . . 0.0 114.004 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -61.38 130.64 47.06 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.074 1.349 . . . . 0.0 110.108 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.4 p -71.02 -7.2 44.7 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.29 1.436 . . . . 0.0 114.222 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 64.06 6.19 2.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.442 1.897 . . . . 0.0 112.294 -168.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.64 14.94 81.9 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.235 1.398 . . . . 0.0 114.482 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -156.2 162.47 40.18 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.646 1.723 . . . . 0.0 115.023 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.26 -156.07 7.75 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 125.791 1.663 . . . . 0.0 112.941 172.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -146.27 149.89 34.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.684 1.594 . . . . 0.0 111.031 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.5 t -141.33 135.36 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.5 1.12 . . . . 0.0 110.182 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 m -116.21 141.38 48.22 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.927 2.091 . . . . 0.0 108.099 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -109.99 154.56 22.99 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.529 1.132 . . . . 0.0 112.119 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.7 mmt -68.31 -19.42 64.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.049 0.94 . . . . 0.0 113.125 171.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -148.72 146.25 28.01 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.542 1.937 . . . . 0.0 110.793 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -64.09 -21.68 66.63 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.702 0.801 . . . . 0.0 112.369 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.95 -24.67 62.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.525 1.13 . . . . 0.0 113.873 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.14 -38.01 16.62 Favored Glycine 0 N--CA 1.47 0.952 0 CA-C-N 119.224 0.92 . . . . 0.0 112.426 171.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.63 -47.93 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.748 0.819 . . . . 0.0 109.497 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -52.3 -46.61 66.0 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.825 1.25 . . . . 0.0 112.737 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -64.88 -38.37 90.75 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.1 -29.28 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 122.931 0.492 . . . . 0.0 111.118 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.93 -38.59 36.87 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.321 -0.862 . . . . 0.0 111.967 173.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.38 -24.6 62.98 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -176.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -85.93 135.67 33.58 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.528 1.131 . . . . 0.0 110.685 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -82.25 -9.85 59.34 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -169.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -162.48 145.59 11.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.014 1.326 . . . . 0.0 111.692 -173.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -143.54 153.84 43.0 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.708 1.603 . . . . 0.0 110.691 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -153.51 132.85 12.77 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.015 0.926 . . . . 0.0 110.919 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.3 tp -149.53 130.2 14.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.684 1.594 . . . . 0.0 109.067 -177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 57.26 35.4 26.08 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.682 1.593 . . . . 0.0 112.596 -170.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.4 m 65.49 19.25 11.51 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.683 1.593 . . . . 0.0 113.558 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -117.77 132.98 56.39 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.818 1.647 . . . . 0.0 109.552 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.5 m -74.6 116.83 15.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.475 1.11 . . . . 0.0 108.714 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.1 pt -98.94 158.83 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.655 0.782 . . . . 0.0 111.485 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -128.21 79.18 74.39 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.706 1.602 . . . . 0.0 110.564 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -87.97 134.88 3.22 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.908 3.072 . . . . 0.0 110.61 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -159.33 162.71 35.98 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.088 1.355 . . . . 0.0 112.279 -168.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.26 132.43 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.923 0.889 . . . . 0.0 111.228 -171.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.698 0 C-N-CA 123.867 0.867 . . . . 0.0 111.678 178.639 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.8 tttt . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.144 0.497 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.3 mtp -140.75 137.51 33.47 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.878 1.671 . . . . 0.0 112.246 -170.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -82.29 138.09 34.66 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.068 1.747 . . . . 0.0 107.973 168.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.6 mm -119.87 98.65 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.304 1.041 . . . . 0.0 108.788 -175.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.45 168.87 31.12 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 124.006 0.812 . . . . 0.0 113.333 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.85 16.41 80.43 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.138 0.875 . . . . 0.0 115.063 172.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.38 159.78 26.15 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.505 1.122 . . . . 0.0 112.71 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.4 t -76.97 149.21 35.97 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.152 0.981 . . . . 0.0 110.61 168.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -64.03 -7.88 9.99 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.886 -1.134 . . . . 0.0 114.005 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -95.35 -2.37 49.3 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.558 1.143 . . . . 0.0 112.752 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.3 m -72.2 142.74 49.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.205 1.002 . . . . 0.0 111.107 -173.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -121.22 159.1 26.64 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.71 1.604 . . . . 0.0 109.774 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.97 -26.4 65.02 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.59 -34.95 76.67 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 122.025 -0.422 . . . . 0.0 110.611 168.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.86 -34.44 82.51 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.644 1.116 . . . . 0.0 112.443 172.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.8 -49.75 75.09 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.651 1.225 . . . . 0.0 110.723 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -57.73 -37.9 74.38 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.114 0.87 . . . . 0.0 112.286 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.58 -36.09 77.66 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.655 0.782 . . . . 0.0 112.8 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -84.31 -42.26 15.99 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.48 1.112 . . . . 0.0 113.324 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -82.33 -22.47 35.57 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.47 -12.85 57.31 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.139 1.352 . . . . 0.0 114.002 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -75.13 -20.21 59.52 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.525 1.13 . . . . 0.0 112.361 173.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -97.93 -42.08 7.7 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.414 1.486 . . . . 0.0 110.927 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.03 155.14 15.33 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.37 1.462 . . . . 0.0 112.326 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.48 146.08 52.54 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 117.491 0.646 . . . . 0.0 111.516 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 m -103.22 133.15 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.655 1.182 . . . . 0.0 111.413 -172.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -80.11 -25.82 39.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.848 2.459 . . . . 0.0 112.517 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -161.33 146.43 13.74 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.539 1.936 . . . . 0.0 108.717 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.5 p -149.15 142.52 25.21 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.775 1.23 . . . . 0.0 110.382 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -147.74 144.27 28.15 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.66 1.584 . . . . 0.0 111.094 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.3 t -125.87 121.69 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 166.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.7 mmm -87.82 52.67 2.54 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.195 0.998 . . . . 0.0 112.251 -168.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -73.62 153.72 40.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.663 1.185 . . . . 0.0 113.939 -170.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.77 129.67 88.0 Favored Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 124.91 1.284 . . . . 0.0 109.788 169.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -80.11 -10.53 13.8 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 122.12 1.88 . . . . 0.0 114.15 -172.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -89.17 -41.66 12.12 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.869 1.213 . . . . 0.0 111.348 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.2 p -108.12 -13.08 15.0 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.246 1.418 . . . . 0.0 113.5 -172.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 65.92 4.22 2.9 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.725 2.41 . . . . 0.0 113.634 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.87 126.53 27.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.294 1.838 . . . . 0.0 110.135 171.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.5 p -67.68 -7.28 25.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.974 1.31 . . . . 0.0 114.37 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 61.46 8.29 2.14 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.78 1.632 . . . . 0.0 112.13 -168.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.49 18.23 79.91 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-O 117.799 -1.556 . . . . 0.0 114.475 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -155.25 159.37 40.0 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 120.021 1.91 . . . . 0.0 115.476 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -150.07 -162.18 10.34 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 126.027 1.775 . . . . 0.0 112.984 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -144.96 147.95 33.27 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.658 1.583 . . . . 0.0 110.804 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.4 t -143.31 139.78 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.76 1.224 . . . . 0.0 110.205 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.1 m -122.18 138.16 54.57 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.734 1.614 . . . . 0.0 108.14 172.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -96.6 155.23 16.86 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.203 1.001 . . . . 0.0 112.279 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.29 -15.65 60.59 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 173.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -153.39 156.21 37.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.348 1.859 . . . . 0.0 110.443 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -57.83 -27.86 63.55 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.42 1.088 . . . . 0.0 112.703 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.75 -28.48 56.12 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.66 -31.54 60.42 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-N 119.134 0.879 . . . . 0.0 112.942 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.24 -46.52 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-N 117.852 0.826 . . . . 0.0 109.218 171.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.49 -44.24 76.36 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.959 0.904 . . . . 0.0 112.153 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -64.33 -34.68 78.71 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.843 0.857 . . . . 0.0 113.161 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.78 -42.96 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 122.865 0.466 . . . . 0.0 110.953 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.34 -35.06 78.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.221 0.608 . . . . 0.0 112.326 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.34 -9.09 45.55 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -108.52 136.49 48.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.93 1.292 . . . . 0.0 110.588 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.1 m -84.4 -8.67 58.9 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -168.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -162.44 146.52 11.87 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.155 1.382 . . . . 0.0 111.463 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -143.71 156.06 44.41 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.615 1.566 . . . . 0.0 110.809 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.34 133.26 12.33 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.073 0.949 . . . . 0.0 110.827 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.1 tp -149.53 129.47 13.43 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.587 1.555 . . . . 0.0 109.129 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.2 t70 58.07 36.88 26.35 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.709 1.604 . . . . 0.0 112.621 -172.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.5 m 66.23 18.88 11.03 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.872 1.669 . . . . 0.0 113.67 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -119.0 130.49 55.71 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.047 1.739 . . . . 0.0 109.376 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.9 m -71.86 118.64 14.96 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.399 1.08 . . . . 0.0 108.69 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.1 pt -101.78 158.46 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.832 0.853 . . . . 0.0 111.123 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -131.82 82.08 61.24 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 125.291 1.436 . . . . 0.0 110.39 -173.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -87.0 140.85 5.91 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.765 2.977 . . . . 0.0 111.266 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -156.56 162.43 39.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.512 1.525 . . . . 0.0 112.172 -169.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.37 133.76 26.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.355 -0.84 . . . . 0.0 110.542 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 123.983 0.913 . . . . 0.0 113.268 -175.903 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.5 tttt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.9 mtp -140.1 137.64 34.66 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.176 1.79 . . . . 0.0 112.203 -173.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -81.72 138.32 35.24 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.894 1.677 . . . . 0.0 107.702 167.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mm -120.57 99.93 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.185 0.994 . . . . 0.0 108.941 -176.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.06 169.89 32.6 Favored Glycine 0 N--CA 1.471 0.972 0 C-N-CA 123.953 0.787 . . . . 0.0 113.106 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.45 15.48 81.19 Favored Glycine 0 CA--C 1.535 1.327 0 N-CA-C 115.303 0.881 . . . . 0.0 115.303 170.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.63 166.75 12.27 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.92 1.288 . . . . 0.0 112.411 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.2 t -79.48 151.23 30.92 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.302 0.641 . . . . 0.0 110.784 169.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -59.67 -7.38 1.51 Allowed 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 170.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -120.96 10.37 10.81 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.605 1.562 . . . . 0.0 113.127 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.1 m -67.27 142.08 57.01 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.232 0.924 . . . . 0.0 109.912 169.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.9 p -118.86 160.04 22.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.561 1.545 . . . . 0.0 110.331 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.95 -25.04 64.35 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.87 -36.57 75.59 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.981 -0.449 . . . . 0.0 110.392 168.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.92 -33.84 85.23 Favored Glycine 0 C--N 1.343 0.941 0 C-N-CA 124.468 1.032 . . . . 0.0 112.432 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.45 -50.82 71.24 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.589 1.194 . . . . 0.0 110.935 169.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.94 -39.58 74.81 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.323 0.965 . . . . 0.0 112.14 175.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.06 -34.89 74.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.966 0.906 . . . . 0.0 112.872 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -85.38 -41.46 15.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.344 1.058 . . . . 0.0 113.351 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -82.4 -19.04 39.88 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.61 -9.97 47.19 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.634 1.111 . . . . 0.0 114.317 171.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.34 -27.04 64.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.648 1.179 . . . . 0.0 112.29 170.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -101.04 -35.22 9.43 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.478 1.511 . . . . 0.0 111.382 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.51 153.0 10.5 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 125.95 1.738 . . . . 0.0 111.544 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.09 148.67 35.0 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.603 0.701 . . . . 0.0 110.7 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 m -107.04 133.53 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.52 1.128 . . . . 0.0 111.538 -170.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -78.26 -27.26 47.49 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.451 2.301 . . . . 0.0 112.364 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -163.25 145.62 10.08 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.867 2.067 . . . . 0.0 108.656 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.13 144.29 29.88 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.75 1.22 . . . . 0.0 110.324 171.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -147.37 147.3 30.15 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.401 1.48 . . . . 0.0 111.177 -172.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -133.75 125.76 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 167.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.5 mmt -85.1 51.57 2.21 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.275 1.43 . . . . 0.0 112.382 -169.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -74.18 147.18 42.82 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.302 1.441 . . . . 0.0 113.977 -173.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.74 130.86 80.53 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.268 1.427 . . . . 0.0 110.353 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.77 -10.6 11.72 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.484 2.123 . . . . 0.0 114.493 -173.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.78 -35.18 15.0 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.61 1.096 . . . . 0.0 111.779 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.8 p -115.78 -12.01 11.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.111 1.365 . . . . 0.0 113.425 -172.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.04 6.14 3.32 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.586 2.355 . . . . 0.0 113.441 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -58.88 123.48 16.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.09 1.756 . . . . 0.0 110.083 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.6 p -71.39 -8.62 54.99 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 64.35 5.93 2.81 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.364 1.866 . . . . 0.0 112.703 -168.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.83 15.17 79.8 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-O 118.07 -1.406 . . . . 0.0 114.51 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -156.93 162.51 39.63 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.819 1.81 . . . . 0.0 114.959 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.01 -156.54 7.94 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.721 1.629 . . . . 0.0 113.177 173.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -145.75 150.76 36.83 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.621 1.568 . . . . 0.0 110.953 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.8 t -142.53 137.97 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.844 1.258 . . . . 0.0 109.937 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.5 m -116.97 136.15 53.16 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.558 1.543 . . . . 0.0 108.156 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -96.59 153.65 17.73 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.053 0.941 . . . . 0.0 112.179 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 99.3 mmm -67.5 -14.9 63.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.841 0.856 . . . . 0.0 113.23 173.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -154.73 154.01 32.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.299 1.839 . . . . 0.0 110.665 171.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -60.58 -25.25 66.07 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.589 1.156 . . . . 0.0 112.999 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.25 -23.56 56.41 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.22 -34.71 28.84 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 118.961 0.8 . . . . 0.0 112.731 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.29 -47.49 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 117.89 0.845 . . . . 0.0 109.303 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.14 -45.29 61.6 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.203 1.001 . . . . 0.0 112.65 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -66.77 -37.7 85.12 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.13 -31.66 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.34 0.656 . . . . 0.0 111.209 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.49 -38.25 55.57 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.274 -0.891 . . . . 0.0 111.978 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.37 -16.07 62.4 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -95.01 137.65 33.78 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.76 1.224 . . . . 0.0 111.147 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.2 m -80.63 -10.49 59.73 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -169.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -162.57 147.96 12.36 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.4 1.48 . . . . 0.0 111.551 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.01 155.0 49.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.746 1.618 . . . . 0.0 110.551 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -152.82 131.86 12.61 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.198 0.999 . . . . 0.0 110.372 -173.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.3 tp -153.71 131.87 11.87 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.366 1.466 . . . . 0.0 109.118 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 58.5 38.73 25.47 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.476 1.51 . . . . 0.0 112.58 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.1 m 66.88 23.13 10.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.079 1.752 . . . . 0.0 113.675 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -130.81 134.68 47.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.2 1.8 . . . . 0.0 109.846 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.0 m -67.26 118.09 10.17 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.562 1.145 . . . . 0.0 108.343 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.5 pt -100.07 156.32 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.398 0.618 . . . . 0.0 110.995 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -130.09 80.39 71.02 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 125.403 1.481 . . . . 0.0 110.48 -173.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -86.4 139.83 6.11 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 123.779 2.986 . . . . 0.0 111.186 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -155.45 162.2 40.8 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.542 1.537 . . . . 0.0 111.87 -170.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.0 t -61.03 132.37 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 121.287 -0.883 . . . . 0.0 110.503 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 123.815 0.846 . . . . 0.0 112.054 -178.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 tttm . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.5 mtp -137.88 136.81 37.45 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.598 1.559 . . . . 0.0 111.946 -175.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -84.5 131.76 34.61 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 125.85 1.66 . . . . 0.0 107.505 168.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.4 HG22 HD21 ' A' ' 27' ' ' LEU . 13.0 mm -113.36 95.13 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 123.987 0.915 . . . . 0.0 108.583 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.39 165.33 27.47 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 123.959 0.79 . . . . 0.0 112.979 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.15 18.27 79.46 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.185 0.897 . . . . 0.0 114.962 172.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.4 HD21 HG22 ' A' ' 24' ' ' ILE . 81.0 mt -66.13 164.59 15.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.601 1.161 . . . . 0.0 112.641 -179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.4 t -79.32 150.97 31.31 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.179 0.592 . . . . 0.0 110.3 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -59.04 -17.49 26.02 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.924 -1.11 . . . . 0.0 113.302 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -94.81 -7.56 39.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.831 1.652 . . . . 0.0 113.138 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.3 m -67.67 139.57 56.78 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.684 1.129 . . . . 0.0 110.821 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.0 p -121.72 163.31 19.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.203 1.801 . . . . 0.0 110.172 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.53 -25.32 64.87 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.29 -37.26 77.74 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.986 -0.446 . . . . 0.0 110.339 168.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.25 -34.1 84.64 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.395 0.998 . . . . 0.0 112.456 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.93 -52.99 62.69 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 118.673 1.237 . . . . 0.0 110.809 169.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -54.88 -40.09 69.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.405 1.002 . . . . 0.0 112.365 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -59.28 -35.42 73.72 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.033 0.933 . . . . 0.0 112.934 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -88.23 -41.68 12.78 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.387 1.075 . . . . 0.0 113.243 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -83.05 -23.92 32.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.559 1.144 . . . . 0.0 113.923 -172.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 -12.66 56.59 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.586 1.088 . . . . 0.0 113.971 172.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -77.26 -20.43 55.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.759 1.223 . . . . 0.0 112.696 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -98.23 -34.17 10.82 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.94 1.296 . . . . 0.0 111.975 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.74 154.72 13.19 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 127.192 2.329 . . . . 0.0 110.544 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -64.27 138.5 58.47 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.378 1.089 . . . . 0.0 111.143 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -91.76 129.63 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.943 1.297 . . . . 0.0 110.184 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -80.01 -25.9 40.08 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.268 1.827 . . . . 0.0 112.291 173.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -162.13 147.18 12.76 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.002 1.721 . . . . 0.0 109.118 -177.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.3 p -142.92 143.51 32.04 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.585 1.154 . . . . 0.0 110.386 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.7 mt -145.95 143.75 29.71 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.074 1.35 . . . . 0.0 111.322 -174.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.1 t -134.13 129.72 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.464 1.506 . . . . 0.0 107.646 168.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.3 mmt -91.83 42.49 1.1 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.17 1.388 . . . . 0.0 112.577 -169.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -63.24 145.89 54.58 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -173.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -79.87 128.57 73.67 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 124.156 0.982 . . . . 0.0 110.561 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.0 -14.06 21.23 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 122.707 2.271 . . . . 0.0 113.523 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.98 -26.48 48.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.238 1.015 . . . . 0.0 113.022 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 p -135.35 -11.21 2.17 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.252 1.421 . . . . 0.0 113.764 -170.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 64.29 4.44 2.15 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.943 2.497 . . . . 0.0 113.997 -176.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -61.34 131.19 49.5 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.242 1.017 . . . . 0.0 110.577 171.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.2 p -67.19 -9.22 37.99 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.961 1.704 . . . . 0.0 114.717 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 67.4 6.4 4.87 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.816 2.046 . . . . 0.0 112.567 -168.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.86 16.09 81.06 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-O 118.144 -1.365 . . . . 0.0 113.955 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -155.31 161.14 41.17 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.601 1.701 . . . . 0.0 115.404 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.23 -157.03 8.32 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 125.39 1.471 . . . . 0.0 112.894 169.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -144.69 148.94 34.82 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.346 1.458 . . . . 0.0 111.119 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.44 129.66 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.926 0.89 . . . . 0.0 109.968 172.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.4 m -105.46 139.9 39.39 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.7 1.6 . . . . 0.0 107.635 170.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -107.5 151.81 25.07 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.973 1.309 . . . . 0.0 111.367 -178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.6 mtp -73.98 -6.98 50.66 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.168 0.987 . . . . 0.0 113.414 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -156.74 154.42 29.97 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.111 2.165 . . . . 0.0 111.388 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -76.67 -22.57 53.84 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.795 -0.566 . . . . 0.0 112.105 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.17 -25.16 68.22 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.32 -35.82 22.37 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-N 119.823 1.192 . . . . 0.0 112.644 170.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.0 t -59.41 -46.72 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 117.96 0.88 . . . . 0.0 109.452 172.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -51.99 -47.76 64.74 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.078 1.351 . . . . 0.0 112.793 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -65.55 -35.87 82.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.84 -27.37 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.059 0.544 . . . . 0.0 111.276 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.0 mt -80.23 -38.7 30.52 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.063 -1.023 . . . . 0.0 111.733 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.4 -25.97 61.69 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -175.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -84.92 138.27 32.61 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.394 1.078 . . . . 0.0 111.435 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -82.79 -4.14 57.58 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -169.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -161.96 144.99 11.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.586 1.554 . . . . 0.0 111.157 -175.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -139.29 149.37 44.19 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.1 1.36 . . . . 0.0 110.937 173.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -153.31 130.73 11.35 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.964 0.906 . . . . 0.0 110.834 -171.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.6 tp -151.82 133.55 14.82 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.795 1.638 . . . . 0.0 108.855 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.8 t70 59.45 29.45 19.01 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.381 1.473 . . . . 0.0 112.46 -171.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 m 65.42 19.44 11.59 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.283 1.833 . . . . 0.0 113.827 -175.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -114.28 139.25 49.57 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.626 1.57 . . . . 0.0 109.806 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.2 m -72.83 117.94 15.16 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.5 pt -103.22 154.27 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.392 0.677 . . . . 0.0 111.18 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -128.79 67.4 77.34 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 125.171 1.388 . . . . 0.0 111.786 -171.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.2 146.24 28.3 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 124.096 3.197 . . . . 0.0 111.786 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -157.35 163.66 38.4 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.277 1.431 . . . . 0.0 112.428 -171.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.0 t -59.63 133.05 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 124.222 1.009 . . . . 0.0 110.717 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -176.564 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.1 tttt . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 71.1 mtp -139.2 137.77 36.3 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.864 1.665 . . . . 0.0 112.494 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -81.68 140.03 34.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.818 1.647 . . . . 0.0 107.399 167.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.1 mm -122.68 99.1 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.96 0.904 . . . . 0.0 109.103 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.54 168.92 32.34 Favored Glycine 0 N--CA 1.47 0.954 0 C-N-CA 124.055 0.836 . . . . 0.0 112.883 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.01 16.21 80.84 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 171.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.19 162.25 20.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.785 1.234 . . . . 0.0 112.558 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.9 t -76.91 147.96 36.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.094 0.958 . . . . 0.0 110.954 169.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -59.23 -16.18 19.56 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -109.64 9.93 24.99 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.561 1.544 . . . . 0.0 113.048 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.5 m -65.82 141.94 58.11 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.124 0.969 . . . . 0.0 110.09 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.5 p -118.57 160.21 22.19 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.257 1.423 . . . . 0.0 109.968 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -69.38 -22.95 63.68 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.0 -35.94 72.27 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.849 0.459 . . . . 0.0 110.351 167.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.44 -34.11 78.75 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.532 1.063 . . . . 0.0 112.453 172.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.91 -50.62 71.42 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 118.701 1.251 . . . . 0.0 110.49 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -55.23 -39.84 70.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.315 0.961 . . . . 0.0 112.27 175.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -61.02 -35.68 77.51 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.169 0.987 . . . . 0.0 112.909 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -86.5 -35.97 19.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.701 1.2 . . . . 0.0 113.527 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -88.89 -14.14 37.51 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -173.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.34 -10.12 46.51 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.469 1.033 . . . . 0.0 114.045 169.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -71.02 -25.62 62.75 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.826 1.251 . . . . 0.0 112.49 172.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -105.83 -28.98 10.31 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.678 1.191 . . . . 0.0 112.877 -172.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.83 165.78 32.83 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 125.282 1.42 . . . . 0.0 112.435 176.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.54 124.81 24.61 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 122.274 -0.545 . . . . 0.0 109.909 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -85.74 147.35 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.499 0.72 . . . . 0.0 111.292 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -103.27 -16.28 15.72 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.672 1.989 . . . . 0.0 113.775 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -147.37 -85.02 0.1 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.947 0.899 . . . . 0.0 112.407 -170.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.3 m 70.22 130.37 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 128.385 2.674 . . . . 0.0 112.577 -169.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.7 mt -147.94 145.47 28.6 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.531 1.532 . . . . 0.0 111.108 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.93 126.74 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 168.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.5 mmt -86.06 49.11 1.72 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.271 1.428 . . . . 0.0 112.299 -170.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -71.57 148.47 46.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.274 1.43 . . . . 0.0 113.516 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -84.14 126.64 69.39 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.527 1.131 . . . . 0.0 110.163 172.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.97 -13.96 21.33 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.596 2.197 . . . . 0.0 113.757 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.33 -25.65 51.33 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.98 . . . . 0.0 113.037 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -135.97 -10.99 2.01 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.413 1.485 . . . . 0.0 113.716 -170.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.51 6.53 2.58 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.822 2.449 . . . . 0.0 113.677 -175.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -58.97 128.99 40.0 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.985 1.314 . . . . 0.0 110.562 171.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -74.31 -7.36 52.53 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.95 1.3 . . . . 0.0 114.436 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 63.23 5.07 1.82 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.261 1.824 . . . . 0.0 112.758 -168.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.63 15.88 80.83 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-O 118.228 -1.318 . . . . 0.0 114.349 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -157.02 161.53 39.54 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.66 1.73 . . . . 0.0 114.747 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.4 -154.21 6.99 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.679 1.609 . . . . 0.0 112.827 173.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -147.13 151.44 36.82 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.777 1.631 . . . . 0.0 111.087 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.36 131.31 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.491 1.116 . . . . 0.0 110.063 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -111.39 143.67 41.84 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.837 2.055 . . . . 0.0 107.464 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -115.57 153.75 30.64 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.584 1.154 . . . . 0.0 112.004 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.8 mmt -68.7 -14.63 63.15 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.203 1.001 . . . . 0.0 113.494 174.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -155.33 154.56 32.24 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.238 1.815 . . . . 0.0 110.55 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -62.8 -25.21 68.12 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.387 1.075 . . . . 0.0 112.544 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.1 -19.67 54.47 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.82 -23.9 31.71 Favored Glycine 0 CA--C 1.53 1.021 0 CA-C-N 119.705 1.139 . . . . 0.0 113.51 170.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.4 t -67.83 -45.61 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 118.434 1.117 . . . . 0.0 108.535 169.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.4 -47.98 62.76 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.417 1.487 . . . . 0.0 112.929 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -65.21 -35.51 81.27 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.35 -29.94 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.219 0.607 . . . . 0.0 111.306 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.6 mt -77.9 -38.2 46.26 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 121.45 -0.781 . . . . 0.0 111.901 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.31 -21.47 62.06 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -90.21 138.66 31.34 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.999 1.32 . . . . 0.0 110.996 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.2 m -84.43 -12.0 55.18 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.888 1.811 . . . . 0.0 115.888 -169.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -163.18 147.07 10.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.032 1.333 . . . . 0.0 111.807 -174.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -143.07 151.86 41.23 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.971 1.708 . . . . 0.0 109.877 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -151.71 127.8 10.43 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.231 -0.918 . . . . 0.0 110.635 -174.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.66 125.23 15.78 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.273 1.429 . . . . 0.0 109.305 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.9 t70 58.34 42.1 22.06 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.005 1.722 . . . . 0.0 112.652 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 m 67.23 20.41 10.16 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.913 1.685 . . . . 0.0 113.888 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -125.19 127.91 47.53 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.21 1.804 . . . . 0.0 109.064 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.1 m -71.5 120.84 17.65 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.8 pt -99.94 158.49 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 123.832 0.853 . . . . 0.0 110.892 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -130.91 82.89 62.81 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.483 1.513 . . . . 0.0 110.044 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -83.52 143.93 11.15 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.342 2.695 . . . . 0.0 111.471 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -141.61 159.43 42.23 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.675 1.99 . . . . 0.0 110.888 -169.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.52 132.05 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 121.076 -1.015 . . . . 0.0 109.402 170.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 123.563 0.745 . . . . 0.0 112.894 -176.405 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.6 mtp -138.16 134.56 34.7 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.657 1.583 . . . . 0.0 111.945 -173.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -82.33 134.89 35.28 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.838 1.655 . . . . 0.0 107.171 168.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.2 mm -116.1 98.59 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.122 0.969 . . . . 0.0 108.488 -173.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.28 166.01 30.49 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.868 0.747 . . . . 0.0 112.968 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.52 16.55 78.95 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-O 119.041 -0.866 . . . . 0.0 114.98 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.33 163.86 6.11 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.612 1.206 . . . . 0.0 112.358 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.4 t -78.55 151.78 32.26 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.974 0.509 . . . . 0.0 110.723 169.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -61.27 -14.81 29.16 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.008 -1.057 . . . . 0.0 113.38 169.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -102.4 1.19 35.06 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.368 1.467 . . . . 0.0 113.418 176.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 m -71.53 139.66 49.58 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.666 1.121 . . . . 0.0 110.114 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 p -119.74 162.43 19.06 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.915 1.686 . . . . 0.0 110.238 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.25 -22.97 63.8 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.7 -36.56 70.6 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.824 0.45 . . . . 0.0 110.279 168.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.43 -34.07 83.67 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.444 1.021 . . . . 0.0 112.418 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.8 -52.71 63.94 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.6 1.2 . . . . 0.0 110.551 169.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -55.15 -39.44 69.47 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.259 0.936 . . . . 0.0 112.409 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.67 -34.85 74.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.214 1.005 . . . . 0.0 112.979 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -88.28 -38.78 14.92 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.576 1.15 . . . . 0.0 113.289 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -85.29 -15.38 43.59 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -172.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.25 -8.92 46.76 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.614 1.102 . . . . 0.0 114.416 170.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.59 -26.8 60.16 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.726 1.211 . . . . 0.0 112.562 174.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.73 -36.39 9.13 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.293 1.037 . . . . 0.0 112.527 -171.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.72 173.64 44.53 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 126.392 1.949 . . . . 0.0 111.568 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -79.35 120.47 23.83 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 117.781 0.79 . . . . 0.0 109.747 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 m -78.81 145.21 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-O 121.239 0.543 . . . . 0.0 111.36 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -103.77 -29.35 11.09 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.014 1.726 . . . . 0.0 113.397 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -168.16 102.51 0.45 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.364 1.465 . . . . 0.0 109.147 -169.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 59.8 m -101.8 141.45 34.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.449 1.5 . . . . 0.0 110.117 174.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -144.67 147.28 32.86 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.574 1.15 . . . . 0.0 112.116 -177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.9 t -132.7 129.96 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.446 1.498 . . . . 0.0 107.911 168.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.2 mmt -93.96 45.66 1.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.27 1.428 . . . . 0.0 112.261 -169.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 -64.34 151.56 43.59 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -173.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -75.07 136.03 73.22 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.303 1.441 . . . . 0.0 109.934 170.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -83.01 -14.02 8.82 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.574 2.182 . . . . 0.0 113.912 -175.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.5 mt -93.1 -44.66 8.27 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.889 1.276 . . . . 0.0 111.212 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.7 p -101.3 -11.56 19.37 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.415 1.086 . . . . 0.0 112.844 -175.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 mptt 66.89 -1.45 1.37 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.97 2.508 . . . . 0.0 113.712 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.72 133.19 55.87 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.637 1.575 . . . . 0.0 110.499 174.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.0 p -66.07 -6.39 12.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.538 1.535 . . . . 0.0 114.59 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 63.76 7.17 3.03 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.489 1.916 . . . . 0.0 112.225 -168.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.72 17.06 79.34 Favored Glycine 0 C--N 1.341 0.826 0 CA-C-O 118.04 -1.422 . . . . 0.0 114.241 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -157.08 162.23 39.46 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.8 1.8 . . . . 0.0 115.07 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.47 -155.05 7.34 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 125.587 1.565 . . . . 0.0 112.664 171.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -144.89 150.71 37.52 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.455 1.502 . . . . 0.0 110.914 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.4 t -139.63 128.41 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.364 1.066 . . . . 0.0 110.209 170.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.5 m -105.38 146.86 28.87 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.415 1.886 . . . . 0.0 108.102 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -117.61 152.5 35.04 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.657 1.183 . . . . 0.0 111.441 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.83 -8.05 49.8 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.166 1.386 . . . . 0.0 113.024 169.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -156.32 149.51 24.33 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.693 1.997 . . . . 0.0 111.579 -170.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -76.54 -22.65 54.07 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.814 -0.554 . . . . 0.0 112.202 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.87 -25.59 68.37 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.66 -36.68 22.18 Favored Glycine 0 N--CA 1.469 0.871 0 CA-C-N 119.726 1.148 . . . . 0.0 112.655 171.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -59.1 -46.41 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 117.735 0.767 . . . . 0.0 109.495 172.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.37 -47.66 66.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.959 1.304 . . . . 0.0 112.935 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -65.8 -35.68 81.37 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.22 -29.15 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.072 0.549 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.7 mt -78.63 -38.31 40.03 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.238 -0.914 . . . . 0.0 111.8 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.08 -26.09 62.02 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -81.36 142.93 32.56 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.576 1.15 . . . . 0.0 111.66 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.0 p -79.36 -25.02 42.32 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -170.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.4 ttp-105 -155.99 150.45 25.81 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.248 1.419 . . . . 0.0 111.676 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -136.12 152.99 51.41 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.621 1.569 . . . . 0.0 110.51 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -156.8 130.15 8.03 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.505 -0.747 . . . . 0.0 111.036 -169.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.0 tp -152.67 132.72 13.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.958 1.703 . . . . 0.0 108.688 -173.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.6 t70 59.62 29.8 19.38 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.254 1.422 . . . . 0.0 112.301 -170.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 63.98 19.66 11.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.283 1.833 . . . . 0.0 113.559 -174.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -116.19 136.34 53.1 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.921 1.688 . . . . 0.0 109.516 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.7 m -79.08 118.53 21.14 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.927 0.891 . . . . 0.0 109.172 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 21.2 pt -104.55 153.6 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.835 0.854 . . . . 0.0 111.129 -176.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -130.08 75.5 79.31 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 125.634 1.574 . . . . 0.0 110.916 -171.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -81.72 149.37 16.19 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.831 3.021 . . . . 0.0 112.16 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -159.64 164.19 34.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.976 1.711 . . . . 0.0 111.876 -169.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.75 134.54 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 O-C-N 121.214 -0.929 . . . . 0.0 110.882 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -175.834 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.1 tttt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.9 mtp -140.44 137.27 33.81 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 126.283 1.833 . . . . 0.0 111.77 -174.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -83.18 135.46 34.78 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.937 1.695 . . . . 0.0 107.318 167.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.3 mm -115.82 98.28 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.203 1.001 . . . . 0.0 108.712 -173.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.28 160.54 22.94 Favored Glycine 0 N--CA 1.471 0.975 0 C-N-CA 124.108 0.861 . . . . 0.0 113.623 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.63 15.46 79.53 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.446 1.022 . . . . 0.0 115.105 173.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.97 163.5 7.71 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.115 1.366 . . . . 0.0 112.485 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 t -79.86 152.01 29.89 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.589 -0.695 . . . . 0.0 110.672 169.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -61.9 -12.51 18.26 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.813 -1.179 . . . . 0.0 113.443 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -88.01 -14.6 38.64 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.913 1.685 . . . . 0.0 113.233 173.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.6 m -72.26 141.29 48.93 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.38 0.991 . . . . 0.0 112.007 -169.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.2 p -117.55 160.36 21.37 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.553 1.941 . . . . 0.0 110.715 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -70.42 -27.45 64.28 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.481 0.713 . . . . 0.0 112.719 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.54 -37.54 87.02 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.716 0.807 . . . . 0.0 110.412 168.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.65 -34.43 78.4 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.611 1.101 . . . . 0.0 112.547 173.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.43 -51.42 68.8 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.659 1.23 . . . . 0.0 110.383 169.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -56.1 -37.86 69.95 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.814 0.733 . . . . 0.0 112.528 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -59.75 -35.77 75.27 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.881 0.872 . . . . 0.0 112.91 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -88.57 -41.32 12.75 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.893 1.277 . . . . 0.0 113.088 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -81.64 -22.23 37.7 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.406 1.082 . . . . 0.0 113.482 -175.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.18 -13.96 55.1 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.978 1.275 . . . . 0.0 114.147 171.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -78.72 -19.44 52.39 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.646 1.178 . . . . 0.0 112.656 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -98.46 -35.66 10.19 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.444 1.498 . . . . 0.0 111.446 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.84 156.63 21.02 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.146 1.355 . . . . 0.0 112.138 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.72 130.81 47.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.441 0.621 . . . . 0.0 110.338 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 m -90.64 135.26 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.649 0.737 . . . . 0.0 111.194 -175.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -80.11 -27.07 39.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.618 1.967 . . . . 0.0 112.722 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -167.07 141.76 3.95 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.684 1.994 . . . . 0.0 108.122 -171.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.9 p -141.63 144.46 34.18 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.898 1.279 . . . . 0.0 109.878 171.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -146.76 146.31 30.24 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.806 1.242 . . . . 0.0 111.453 -172.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.23 128.24 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.279 1.432 . . . . 0.0 107.428 167.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.2 mmt -89.73 46.4 1.36 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.015 1.326 . . . . 0.0 112.269 -169.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -66.12 146.81 54.22 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -72.41 131.24 84.99 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 125.091 1.356 . . . . 0.0 110.009 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -79.89 -13.19 13.08 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.452 2.102 . . . . 0.0 113.943 -173.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.3 mt -90.08 -38.89 13.25 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.306 0.957 . . . . 0.0 111.688 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.3 p -112.87 -9.85 13.61 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.518 1.527 . . . . 0.0 113.527 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 67.23 0.2 1.99 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.925 2.49 . . . . 0.0 113.886 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -58.5 130.07 45.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.983 1.713 . . . . 0.0 110.589 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.4 p -66.93 -7.77 24.53 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.286 1.435 . . . . 0.0 114.684 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 64.16 7.1 3.25 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.309 1.844 . . . . 0.0 112.315 -168.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.97 17.41 78.49 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-O 118.079 -1.401 . . . . 0.0 114.329 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.26 162.63 39.21 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.811 1.806 . . . . 0.0 115.152 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.06 -156.06 7.66 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 125.444 1.497 . . . . 0.0 112.987 171.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -145.78 150.7 36.69 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.519 1.528 . . . . 0.0 111.07 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.1 t -142.19 135.56 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.513 1.125 . . . . 0.0 110.049 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.3 m -117.73 141.89 47.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.296 1.838 . . . . 0.0 108.398 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.72 155.24 19.89 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.465 1.106 . . . . 0.0 112.251 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.5 mmt -69.33 -15.14 63.27 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.218 1.007 . . . . 0.0 113.417 171.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -155.99 153.93 30.3 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.128 1.771 . . . . 0.0 110.832 174.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -59.99 -26.06 65.74 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.679 1.191 . . . . 0.0 113.099 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.49 -23.73 58.66 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.84 -30.83 31.0 Favored Glycine 0 N--CA 1.469 0.897 0 CA-C-N 119.111 0.869 . . . . 0.0 113.19 172.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.96 -47.02 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.105 0.952 . . . . 0.0 109.125 172.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -51.65 -45.14 63.23 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.656 1.182 . . . . 0.0 112.685 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.16 -38.83 89.05 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.74 -29.21 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.001 0.52 . . . . 0.0 111.15 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.5 -39.02 39.36 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.261 -0.899 . . . . 0.0 112.027 173.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.21 -25.73 63.55 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -85.43 134.52 34.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.562 1.145 . . . . 0.0 110.646 175.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -81.0 -12.09 59.44 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -169.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -161.23 146.88 14.16 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.206 1.403 . . . . 0.0 111.682 -172.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -141.71 153.85 44.91 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.418 1.487 . . . . 0.0 110.921 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -153.24 129.6 10.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.784 1.234 . . . . 0.0 109.843 -173.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.2 tp -155.09 133.28 11.68 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.796 1.638 . . . . 0.0 108.986 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.5 t0 61.24 38.66 16.46 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.871 1.269 . . . . 0.0 112.63 172.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 m 68.99 26.58 5.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.674 1.99 . . . . 0.0 114.137 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -139.6 138.29 36.07 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.008 1.323 . . . . 0.0 110.379 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.8 m -74.88 122.57 23.6 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 170.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 41.6 pt -108.16 154.02 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.856 0.862 . . . . 0.0 111.412 -174.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -128.25 68.29 76.55 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.502 1.521 . . . . 0.0 111.257 -171.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.24 146.78 36.53 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.831 3.02 . . . . 0.0 111.682 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -157.02 163.57 38.93 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.659 1.583 . . . . 0.0 112.044 -169.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.58 134.13 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 123.848 0.859 . . . . 0.0 110.602 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -176.764 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtp -138.56 137.04 36.65 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.79 1.636 . . . . 0.0 112.271 -174.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -83.68 134.63 34.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.032 1.733 . . . . 0.0 107.212 167.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 mm -114.78 96.29 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.132 0.973 . . . . 0.0 108.623 -173.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.15 163.75 30.56 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 123.885 0.755 . . . . 0.0 113.113 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.74 19.17 79.71 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.196 0.903 . . . . 0.0 115.019 172.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.9 mt -62.68 163.92 8.48 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.425 1.112 . . . . 0.0 112.275 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 t -75.75 150.29 37.82 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.895 -0.503 . . . . 0.0 110.413 169.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -58.69 -16.75 17.79 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -112.22 7.62 19.52 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.044 1.738 . . . . 0.0 113.953 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.1 m -65.17 140.54 58.78 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.607 1.094 . . . . 0.0 109.905 173.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.2 p -115.41 159.67 20.84 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.532 1.533 . . . . 0.0 110.806 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -70.32 -23.66 62.87 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.57 -37.81 74.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.587 0.355 . . . . 0.0 110.19 167.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.06 -32.39 82.3 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.61 1.1 . . . . 0.0 112.662 173.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.47 -52.47 64.41 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.634 1.217 . . . . 0.0 110.99 169.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.52 -39.74 73.85 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.466 1.03 . . . . 0.0 112.135 176.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.13 -34.21 71.79 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.162 0.985 . . . . 0.0 113.119 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -88.02 -41.1 13.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.398 1.079 . . . . 0.0 113.449 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.69 -18.55 40.52 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -172.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.91 -11.49 50.89 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.636 1.113 . . . . 0.0 114.375 171.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -71.27 -27.11 63.21 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.56 1.144 . . . . 0.0 112.32 172.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -100.01 -34.66 9.99 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.994 1.318 . . . . 0.0 111.64 -176.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.74 153.44 11.5 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.095 1.807 . . . . 0.0 111.544 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.52 147.32 51.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 117.865 0.833 . . . . 0.0 110.841 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.44 HG21 ' SG ' ' A' ' 49' ' ' CYS . 14.7 m -106.84 137.4 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.683 1.193 . . . . 0.0 111.659 -169.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -85.09 -23.13 28.65 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.077 2.151 . . . . 0.0 112.75 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -168.47 140.34 2.78 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.237 2.215 . . . . 0.0 107.905 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.44 ' SG ' HG21 ' A' ' 46' ' ' VAL . 11.0 m -140.29 136.62 33.45 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.727 1.611 . . . . 0.0 109.038 175.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.1 mt -145.04 144.26 30.9 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.272 1.029 . . . . 0.0 111.918 -171.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -132.12 129.2 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.376 1.471 . . . . 0.0 107.518 168.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.4 mmt -90.26 44.9 1.23 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.009 1.323 . . . . 0.0 112.302 -169.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -66.2 148.91 51.13 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -172.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.6 130.3 85.85 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.063 1.345 . . . . 0.0 110.084 170.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.51 -12.42 13.9 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.421 2.08 . . . . 0.0 114.316 -172.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.3 mp -88.01 -43.69 11.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.513 1.051 . . . . 0.0 111.09 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.2 p -106.77 -12.29 15.55 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.167 1.387 . . . . 0.0 113.318 -171.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 66.42 3.13 2.7 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.886 2.474 . . . . 0.0 113.404 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -55.95 124.05 16.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.177 1.791 . . . . 0.0 110.665 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.2 p -65.5 -8.57 20.08 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 64.79 5.45 2.83 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.501 1.92 . . . . 0.0 112.458 -168.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.12 16.81 77.99 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-O 118.131 -1.372 . . . . 0.0 114.235 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -157.7 163.08 38.54 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.79 1.795 . . . . 0.0 115.151 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.0 -155.37 7.43 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.496 1.522 . . . . 0.0 112.95 170.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -146.96 149.21 32.74 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.527 1.531 . . . . 0.0 111.33 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.1 t -141.35 130.12 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.516 1.126 . . . . 0.0 110.154 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.9 m -109.42 137.64 46.97 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.134 1.773 . . . . 0.0 107.65 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -105.42 154.4 20.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.076 0.95 . . . . 0.0 111.879 -176.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.9 mmt -70.95 -8.35 52.49 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.534 1.134 . . . . 0.0 113.313 171.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -160.88 158.75 28.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.958 2.103 . . . . 0.0 111.642 -174.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -78.72 -22.52 46.45 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.86 -0.525 . . . . 0.0 112.412 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.06 71.55 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.95 -39.99 58.03 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 119.207 0.912 . . . . 0.0 112.594 171.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.03 -48.45 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 117.72 0.76 . . . . 0.0 109.77 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -53.74 -44.79 70.24 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.594 1.158 . . . . 0.0 112.604 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -67.57 -35.39 78.92 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.2 t -70.65 -28.79 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.016 0.526 . . . . 0.0 111.117 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.9 mt -79.06 -38.87 35.32 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.177 -0.952 . . . . 0.0 111.723 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.83 -25.41 61.97 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -85.7 138.58 32.02 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.424 1.09 . . . . 0.0 111.461 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.6 m -82.59 -4.87 58.33 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -169.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -162.08 144.62 11.46 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.557 1.543 . . . . 0.0 111.224 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -139.56 150.53 45.17 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.249 1.42 . . . . 0.0 110.574 173.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -153.0 130.27 11.26 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.778 0.831 . . . . 0.0 111.102 -171.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -150.88 132.96 15.26 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.744 1.618 . . . . 0.0 108.941 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.8 t70 58.25 30.76 19.95 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.362 1.465 . . . . 0.0 112.397 -169.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.2 m 65.96 16.39 10.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.34 1.856 . . . . 0.0 113.63 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -111.3 138.45 47.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.726 1.61 . . . . 0.0 109.731 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.7 m -74.14 117.58 16.1 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.2 pt -103.66 151.57 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.355 0.662 . . . . 0.0 111.149 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -127.7 70.2 76.81 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 125.554 1.542 . . . . 0.0 111.301 -172.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -76.98 149.23 28.68 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.974 3.116 . . . . 0.0 112.082 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -159.48 164.85 34.11 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.847 1.659 . . . . 0.0 111.869 -169.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.74 134.89 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.256 -0.903 . . . . 0.0 110.86 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 124.067 0.947 . . . . 0.0 113.202 -177.757 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.2 tttt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.4 mtp -138.6 135.68 35.21 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 126.386 1.874 . . . . 0.0 111.678 -175.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -81.38 131.1 35.27 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.928 1.691 . . . . 0.0 106.442 168.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.5 mm -111.12 95.21 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -172.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.52 167.14 32.21 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.973 0.797 . . . . 0.0 113.02 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.54 14.38 79.62 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.233 0.921 . . . . 0.0 114.988 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.56 162.4 10.49 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.528 1.164 . . . . 0.0 112.219 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.1 t -77.44 147.48 35.94 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.411 168.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -58.34 -14.63 7.89 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 176.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -105.31 7.46 33.41 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.633 1.573 . . . . 0.0 112.926 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.9 m -69.94 145.49 51.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.414 1.086 . . . . 0.0 110.919 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.6 p -121.51 159.09 27.03 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.731 1.613 . . . . 0.0 110.581 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.02 -27.75 68.35 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.33 -36.73 74.45 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.861 -0.524 . . . . 0.0 110.844 169.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.04 -33.13 84.56 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.352 0.977 . . . . 0.0 112.297 173.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 mt -62.27 -51.95 65.68 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.365 1.083 . . . . 0.0 110.895 169.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -56.68 -39.28 73.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.334 0.97 . . . . 0.0 112.185 176.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -58.61 -33.39 69.96 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.279 1.031 . . . . 0.0 113.042 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -89.7 -41.33 11.98 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.354 1.062 . . . . 0.0 113.379 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -81.79 -19.05 42.03 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -172.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.52 -10.76 50.65 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.691 1.139 . . . . 0.0 114.371 172.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -71.23 -26.02 62.74 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.553 1.141 . . . . 0.0 112.38 172.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -101.44 -38.73 7.88 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.223 1.409 . . . . 0.0 111.439 -176.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.32 154.04 14.82 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 126.329 1.919 . . . . 0.0 111.051 173.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.98 145.29 56.12 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.269 1.035 . . . . 0.0 110.882 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.8 m -99.11 131.38 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 124.13 0.972 . . . . 0.0 110.772 -173.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -79.95 -23.39 41.7 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.619 1.968 . . . . 0.0 112.526 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -170.93 140.49 1.59 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.458 2.303 . . . . 0.0 107.468 -172.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.08 145.3 30.5 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.675 1.19 . . . . 0.0 110.202 176.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.1 mt -149.72 152.03 34.63 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.683 1.193 . . . . 0.0 111.13 -169.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -134.53 126.73 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.838 1.655 . . . . 0.0 106.72 169.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.3 mmt -95.46 42.59 1.09 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.204 1.402 . . . . 0.0 112.607 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -59.78 153.32 20.85 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.26 1.424 . . . . 0.0 114.415 -172.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.5 129.22 92.81 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.788 1.235 . . . . 0.0 109.987 169.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -79.46 -12.03 14.13 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.389 2.059 . . . . 0.0 114.202 -172.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.09 -42.46 12.36 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.543 1.065 . . . . 0.0 111.193 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.5 p -108.25 -11.62 15.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.896 1.279 . . . . 0.0 113.478 -171.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 65.84 2.46 2.18 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.934 2.494 . . . . 0.0 113.573 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.4 mtp-105 -57.98 126.34 27.02 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.864 2.065 . . . . 0.0 110.497 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 p -62.12 -8.51 5.6 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 60.04 11.74 2.83 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.68 1.592 . . . . 0.0 112.473 -168.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.72 17.79 78.29 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-O 117.847 -1.529 . . . . 0.0 114.047 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -155.77 158.33 37.99 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.74 -157.17 8.06 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 126.124 1.821 . . . . 0.0 112.585 173.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -147.39 147.11 29.92 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.323 1.449 . . . . 0.0 111.047 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.9 t -141.63 126.69 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.396 1.078 . . . . 0.0 110.61 174.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 m -101.97 138.42 38.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.639 1.976 . . . . 0.0 107.967 170.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -105.6 149.58 26.18 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.964 0.906 . . . . 0.0 111.281 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.0 mtp -72.62 -6.91 47.5 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.429 1.092 . . . . 0.0 113.549 173.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -153.63 152.07 30.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.492 2.317 . . . . 0.0 110.801 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -75.13 -25.75 58.65 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.696 -0.628 . . . . 0.0 112.273 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.22 -32.51 70.02 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.695 0.798 . . . . 0.0 112.941 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.54 -34.3 78.65 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 119.361 0.982 . . . . 0.0 112.932 173.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 80.6 t -66.42 -48.19 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 118.251 1.025 . . . . 0.0 109.352 173.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.91 -44.04 70.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.073 0.949 . . . . 0.0 112.606 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -67.41 -36.32 81.03 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 82.0 t -70.64 -30.16 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.337 0.655 . . . . 0.0 111.066 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.0 mt -77.03 -38.51 52.68 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.178 -0.951 . . . . 0.0 111.848 173.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.59 -20.51 61.29 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -90.81 138.46 31.57 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.833 1.253 . . . . 0.0 111.371 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -83.65 -5.43 59.18 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -169.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -161.65 144.85 12.3 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.539 1.536 . . . . 0.0 111.216 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.09 151.39 45.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.31 1.444 . . . . 0.0 110.655 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -153.2 130.93 11.58 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.749 0.819 . . . . 0.0 111.033 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.8 tp -150.08 131.99 15.16 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.681 1.592 . . . . 0.0 108.996 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 58.32 33.03 22.77 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.567 1.547 . . . . 0.0 112.327 -171.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m 66.0 17.82 10.89 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.585 1.954 . . . . 0.0 113.926 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -116.01 139.22 50.48 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.734 1.614 . . . . 0.0 109.9 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 m -75.87 115.89 16.02 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.2 pt -100.17 150.43 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.26 0.624 . . . . 0.0 111.137 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -129.7 67.4 79.15 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 125.691 1.597 . . . . 0.0 111.466 -172.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -73.79 148.24 40.89 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 124.141 3.227 . . . . 0.0 111.993 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -157.77 163.78 37.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.077 1.751 . . . . 0.0 111.681 -171.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.8 134.1 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 121.122 -0.986 . . . . 0.0 111.136 -174.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.543 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.168 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.4 tttt . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 113.404 0.891 . . . . 0.0 113.404 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.7 mtp -139.05 137.89 36.67 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.409 1.884 . . . . 0.0 111.952 -174.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -83.86 139.71 32.47 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.896 1.679 . . . . 0.0 108.259 168.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 mm -121.9 102.8 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.178 0.991 . . . . 0.0 109.036 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.34 167.56 26.28 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.242 0.925 . . . . 0.0 113.338 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.73 12.95 82.57 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.46 1.029 . . . . 0.0 115.245 173.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.63 159.64 12.9 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.972 1.309 . . . . 0.0 112.442 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 t -76.88 152.38 35.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.711 0.767 . . . . 0.0 111.473 173.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -62.98 -6.6 4.04 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.292 1.037 . . . . 0.0 113.267 168.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -114.66 6.35 15.66 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.414 1.486 . . . . 0.0 113.417 173.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.3 m -70.53 143.66 51.57 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.652 1.115 . . . . 0.0 110.459 172.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.7 p -124.75 162.21 24.73 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.111 1.765 . . . . 0.0 110.208 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -65.45 -29.62 70.31 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.49 -36.88 79.55 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.864 -0.523 . . . . 0.0 110.861 170.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.8 -33.41 85.8 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.327 0.965 . . . . 0.0 112.454 173.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -61.94 -51.73 66.94 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.495 1.148 . . . . 0.0 111.165 169.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -57.71 -38.69 75.69 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.45 1.023 . . . . 0.0 112.191 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.18 -33.3 70.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.999 0.92 . . . . 0.0 112.846 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -88.94 -42.2 11.95 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.47 1.108 . . . . 0.0 113.402 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -81.33 -19.52 42.66 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 -10.42 48.46 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.76 1.171 . . . . 0.0 114.321 172.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.81 -26.62 63.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.619 1.167 . . . . 0.0 112.337 171.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -101.47 -30.11 11.61 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.065 1.346 . . . . 0.0 112.251 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.9 156.27 11.96 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 127.034 2.254 . . . . 0.0 111.286 176.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.08 147.05 53.93 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.466 1.133 . . . . 0.0 111.153 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.9 m -103.73 131.44 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.499 1.119 . . . . 0.0 111.168 -174.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -81.3 -24.17 37.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.337 2.255 . . . . 0.0 112.977 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -161.33 147.92 14.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.436 1.894 . . . . 0.0 108.614 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.6 p -150.73 141.27 22.54 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.976 1.31 . . . . 0.0 110.06 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -147.8 151.71 36.46 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.661 1.584 . . . . 0.0 111.015 -171.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -138.91 127.36 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.974 1.71 . . . . 0.0 106.571 169.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.403 ' HG3' ' CE2' ' A' ' 63' ' ' PHE . 33.4 mmt -88.73 49.8 1.85 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.216 1.006 . . . . 0.0 112.167 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -74.79 145.54 42.83 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -175.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.3 132.1 70.63 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.215 1.406 . . . . 0.0 109.992 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.36 -12.46 12.77 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.65 2.233 . . . . 0.0 114.057 -174.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 73.8 mt -94.7 -43.38 8.29 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.753 1.221 . . . . 0.0 111.321 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.0 p -104.4 -7.71 19.7 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.749 1.22 . . . . 0.0 112.977 -174.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 64.53 0.49 1.11 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.983 2.513 . . . . 0.0 113.769 176.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.4 mmt-85 -61.87 134.88 57.25 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.651 1.18 . . . . 0.0 110.267 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.3 p -80.85 -2.55 47.82 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.57 1.148 . . . . 0.0 113.474 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 61.5 2.44 0.67 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.913 1.685 . . . . 0.0 112.39 -168.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.52 21.8 77.69 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.456 1.503 . . . . 0.0 113.882 -174.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.403 ' CE2' ' HG3' ' A' ' 52' ' ' MET . 5.2 p90 -155.45 160.45 40.62 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.845 1.822 . . . . 0.0 115.158 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.65 -157.57 8.49 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.764 1.649 . . . . 0.0 112.918 173.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -145.83 151.65 38.25 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.174 1.39 . . . . 0.0 111.244 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.7 t -143.38 134.92 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.882 1.273 . . . . 0.0 109.799 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.7 m -111.67 133.52 53.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.182 1.393 . . . . 0.0 108.105 170.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -91.97 152.49 19.99 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.696 0.798 . . . . 0.0 112.114 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.8 mtt -72.16 -8.85 57.03 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.086 0.954 . . . . 0.0 113.454 170.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -157.01 142.85 17.75 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.521 1.928 . . . . 0.0 111.421 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -68.61 -23.99 64.52 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.357 0.663 . . . . 0.0 112.114 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.79 -19.61 64.2 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.58 -33.83 18.11 Favored Glycine 0 N--CA 1.468 0.824 0 CA-C-N 119.771 1.168 . . . . 0.0 112.555 170.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.65 -46.09 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 117.955 0.878 . . . . 0.0 109.464 170.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -50.03 -47.45 53.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.459 1.104 . . . . 0.0 112.702 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -65.73 -35.75 81.62 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -70.94 -31.95 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.251 0.62 . . . . 0.0 111.319 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -77.25 -38.02 51.9 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.178 -0.951 . . . . 0.0 111.972 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.44 -17.14 62.39 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -176.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -94.64 137.32 33.89 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.711 1.204 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.2 m -80.11 -10.04 59.74 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -169.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -162.87 148.14 11.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.492 1.517 . . . . 0.0 111.43 -176.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -136.88 154.44 50.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.593 1.557 . . . . 0.0 110.759 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -152.13 132.24 13.51 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.156 0.982 . . . . 0.0 110.642 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.4 tp -149.38 130.1 14.12 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.507 1.523 . . . . 0.0 108.884 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.0 t70 59.61 35.35 22.49 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.562 1.545 . . . . 0.0 112.585 -174.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 66.1 18.58 11.03 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.287 1.835 . . . . 0.0 113.895 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -117.95 131.83 56.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.289 1.836 . . . . 0.0 109.616 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.2 m -66.43 121.38 15.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.512 1.125 . . . . 0.0 108.677 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.1 pt -107.18 156.02 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.369 0.668 . . . . 0.0 111.103 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -128.69 80.61 72.31 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.4 1.48 . . . . 0.0 110.619 -173.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -86.36 140.62 6.49 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.921 3.081 . . . . 0.0 111.399 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -157.09 165.19 36.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.555 1.542 . . . . 0.0 112.156 -169.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.44 133.92 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 O-C-N 121.283 -0.886 . . . . 0.0 110.713 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 123.948 0.899 . . . . 0.0 113.356 -176.512 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.3 tttt . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.6 mtp -138.71 139.22 38.31 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 126.307 1.843 . . . . 0.0 112.379 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -82.6 139.24 33.9 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.195 1.798 . . . . 0.0 107.435 167.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mm -122.4 102.42 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.201 1.0 . . . . 0.0 109.316 -175.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.62 171.85 30.87 Favored Glycine 0 N--CA 1.474 1.179 0 C-N-CA 124.037 0.827 . . . . 0.0 113.254 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.44 18.0 78.08 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.187 0.899 . . . . 0.0 115.127 171.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.09 166.8 15.29 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.84 1.256 . . . . 0.0 112.258 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.2 t -82.26 151.27 26.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.441 0.696 . . . . 0.0 110.611 169.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -62.73 -10.83 14.11 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.786 -1.196 . . . . 0.0 113.2 169.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -98.92 -6.7 28.33 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.525 1.93 . . . . 0.0 112.874 174.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.2 m -69.16 140.96 54.68 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.76 1.164 . . . . 0.0 110.74 176.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.6 p -122.87 165.4 16.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.252 1.821 . . . . 0.0 110.374 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -66.13 -25.6 67.06 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 176.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.51 -36.69 71.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.88 0.472 . . . . 0.0 110.743 169.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.53 87.45 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.176 0.893 . . . . 0.0 112.341 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.14 -52.19 65.92 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 118.491 1.146 . . . . 0.0 110.753 169.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -56.3 -38.45 71.27 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.043 0.838 . . . . 0.0 112.401 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.55 -35.08 75.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.212 1.005 . . . . 0.0 112.952 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -88.02 -39.39 14.7 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.422 1.089 . . . . 0.0 113.166 177.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -82.63 -16.76 47.11 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -174.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 -11.59 44.32 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.568 1.08 . . . . 0.0 114.401 170.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -73.16 -26.2 61.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.815 1.246 . . . . 0.0 112.578 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -102.45 -19.98 14.71 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.878 1.271 . . . . 0.0 112.779 -173.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.9 165.4 22.13 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 126.198 1.856 . . . . 0.0 111.93 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.59 130.05 41.71 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 122.058 -0.672 . . . . 0.0 109.984 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.2 m -86.3 135.25 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-O 121.66 0.743 . . . . 0.0 111.05 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -83.02 -25.92 31.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.715 2.006 . . . . 0.0 112.403 172.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -162.42 145.62 11.44 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.724 1.61 . . . . 0.0 109.422 -174.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.7 m -141.31 140.86 33.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.777 1.631 . . . . 0.0 109.305 171.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.9 mt -144.22 153.14 41.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.562 1.545 . . . . 0.0 111.122 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -138.71 129.73 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.725 1.61 . . . . 0.0 107.5 169.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.6 mmt -92.32 51.61 1.8 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.581 1.153 . . . . 0.0 111.796 -169.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -70.17 149.06 47.93 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.208 1.003 . . . . 0.0 113.624 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -75.2 130.51 80.2 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.127 1.371 . . . . 0.0 110.311 170.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -81.57 -10.54 11.97 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.546 2.164 . . . . 0.0 114.5 -173.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.7 -34.44 14.65 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.615 1.098 . . . . 0.0 111.842 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.6 p -117.17 -10.34 10.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.12 1.368 . . . . 0.0 113.467 -172.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.26 2.01 2.21 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.838 2.455 . . . . 0.0 113.969 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -57.57 130.16 45.12 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.755 1.622 . . . . 0.0 110.281 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.0 p -69.86 -4.99 22.75 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.008 1.323 . . . . 0.0 114.444 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 61.24 7.77 1.79 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.904 1.682 . . . . 0.0 112.1 -167.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.09 18.67 79.76 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.004 -1.442 . . . . 0.0 114.087 -178.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -156.26 160.22 39.59 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.969 1.885 . . . . 0.0 115.586 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.43 -156.6 7.99 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 125.813 1.673 . . . . 0.0 113.048 174.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -147.05 151.63 37.23 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.397 1.479 . . . . 0.0 111.016 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.9 t -143.5 138.17 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.547 1.139 . . . . 0.0 110.086 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.6 m -118.55 138.95 52.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.295 1.438 . . . . 0.0 108.562 173.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -98.05 156.65 16.55 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.545 1.138 . . . . 0.0 112.167 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.5 mmt -65.12 -17.41 64.44 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 171.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -155.55 156.41 35.09 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.344 1.858 . . . . 0.0 110.884 173.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -58.53 -26.1 63.16 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.825 1.25 . . . . 0.0 113.466 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.09 -18.63 48.45 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.53 -27.62 26.77 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-N 119.435 1.016 . . . . 0.0 113.242 170.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.64 -45.6 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.326 1.063 . . . . 0.0 109.089 169.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -49.62 -47.26 49.87 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.578 1.151 . . . . 0.0 112.662 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -66.17 -35.98 81.88 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.74 -31.34 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.168 0.587 . . . . 0.0 111.222 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.8 mt -77.3 -38.2 51.14 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.226 -0.921 . . . . 0.0 112.091 174.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -16.92 62.68 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -176.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -95.61 136.9 35.41 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.929 1.291 . . . . 0.0 110.698 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -81.25 -11.02 59.49 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -168.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -163.45 148.18 10.97 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.227 1.411 . . . . 0.0 111.59 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -141.31 153.42 45.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.718 1.607 . . . . 0.0 110.659 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -152.18 132.57 13.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.03 0.932 . . . . 0.0 110.73 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.8 tp -149.2 130.93 15.04 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.609 1.563 . . . . 0.0 109.309 -177.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.5 t70 59.08 34.06 23.21 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.727 1.611 . . . . 0.0 112.669 -175.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 66.48 22.97 10.59 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.27 1.828 . . . . 0.0 113.721 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -123.53 134.66 53.83 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.594 1.558 . . . . 0.0 109.828 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.8 m -76.23 118.65 19.17 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 pt -100.21 158.43 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.838 0.855 . . . . 0.0 111.316 -174.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.51 77.37 73.55 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 125.313 1.445 . . . . 0.0 111.182 -171.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -84.6 147.4 10.98 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.747 2.965 . . . . 0.0 111.896 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -158.63 161.51 37.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.852 1.661 . . . . 0.0 111.784 -171.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.7 t -62.93 134.52 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 O-C-N 121.111 -0.993 . . . . 0.0 110.632 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.553 0 C-N-CA 124.016 0.926 . . . . 0.0 113.205 -175.785 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.9 tttt . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.6 mtp -141.13 137.91 33.09 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.52 1.528 . . . . 0.0 112.408 -171.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -81.82 137.31 35.3 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.164 1.785 . . . . 0.0 107.673 167.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.1 mm -120.33 98.83 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.132 0.973 . . . . 0.0 108.875 -175.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.93 165.87 24.53 Favored Glycine 0 N--CA 1.471 1.006 0 C-N-CA 124.283 0.944 . . . . 0.0 113.828 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.32 15.06 78.96 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.533 1.063 . . . . 0.0 115.282 172.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.7 mt -59.79 157.37 12.31 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.977 1.311 . . . . 0.0 112.541 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -71.14 146.12 49.37 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.965 -0.46 . . . . 0.0 109.779 168.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -58.7 -13.96 7.3 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.943 -1.098 . . . . 0.0 113.827 170.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.11 -9.86 44.07 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.863 1.265 . . . . 0.0 113.792 174.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.7 m -69.41 139.93 54.11 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.511 1.05 . . . . 0.0 111.237 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.6 p -118.95 163.3 17.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.191 1.797 . . . . 0.0 110.21 174.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.43 -25.86 65.23 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 177.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.17 -36.97 77.94 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.824 -0.548 . . . . 0.0 110.462 168.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.69 -33.39 84.21 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.426 1.013 . . . . 0.0 112.516 172.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.94 -50.66 71.26 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.668 1.234 . . . . 0.0 111.0 169.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -56.9 -39.77 75.01 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.504 1.047 . . . . 0.0 112.083 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.56 -33.84 71.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.981 0.912 . . . . 0.0 112.872 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -86.46 -40.83 14.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.448 1.099 . . . . 0.0 113.463 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -83.95 -19.14 35.17 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -172.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.61 -10.09 47.79 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.537 1.065 . . . . 0.0 114.301 171.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -70.32 -26.21 63.66 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.718 1.207 . . . . 0.0 112.362 171.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -103.03 -33.65 9.19 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.354 1.461 . . . . 0.0 111.772 -176.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.58 150.21 8.1 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 126.148 1.832 . . . . 0.0 111.137 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.33 145.38 47.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 117.786 0.793 . . . . 0.0 110.709 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 m -100.23 130.93 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.216 1.007 . . . . 0.0 110.506 -172.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -75.08 -28.78 60.47 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.431 1.893 . . . . 0.0 112.079 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -163.88 151.58 12.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.929 1.691 . . . . 0.0 109.611 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.0 p -145.9 143.78 29.78 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.401 1.081 . . . . 0.0 111.288 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.4 mt -144.67 144.69 31.36 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.212 1.405 . . . . 0.0 111.251 -170.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.67 127.91 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.289 1.435 . . . . 0.0 107.223 168.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.3 mmt -88.2 50.22 1.94 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.916 1.286 . . . . 0.0 111.607 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -66.83 149.31 50.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.097 1.359 . . . . 0.0 113.818 -171.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.33 120.57 82.06 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 125.472 1.509 . . . . 0.0 110.28 173.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.18 -14.41 28.67 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.543 2.162 . . . . 0.0 113.668 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -81.82 -32.16 31.38 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.411 1.005 . . . . 0.0 113.191 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 p -126.27 -12.07 6.3 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.73 1.612 . . . . 0.0 114.273 -172.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 67.04 8.65 6.31 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.573 2.349 . . . . 0.0 113.892 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -56.51 133.29 53.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.454 1.101 . . . . 0.0 109.912 169.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 p -58.5 -17.72 23.46 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 172.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.22 7.54 6.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.511 2.325 . . . . 0.0 112.757 -175.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.18 8.53 74.97 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-O 117.981 -1.455 . . . . 0.0 114.937 173.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -159.97 161.31 34.12 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.824 1.812 . . . . 0.0 115.123 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.01 -158.63 9.01 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 125.761 1.648 . . . . 0.0 112.865 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -147.43 149.58 32.98 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.717 1.607 . . . . 0.0 110.76 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.6 t -140.53 133.06 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.262 1.025 . . . . 0.0 110.083 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.2 m -109.05 134.5 51.59 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.009 1.724 . . . . 0.0 107.459 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -101.54 153.92 19.3 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.384 1.073 . . . . 0.0 112.25 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -66.81 -18.93 65.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.98 0.912 . . . . 0.0 113.364 172.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -156.42 154.49 30.55 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.772 1.629 . . . . 0.0 111.206 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -63.4 -24.26 67.76 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.538 1.135 . . . . 0.0 112.664 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.6 -25.31 64.53 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 178.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.93 -39.84 15.85 Favored Glycine 0 C--N 1.341 0.836 0 CA-C-N 118.953 0.797 . . . . 0.0 112.288 171.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.18 -48.97 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.931 0.892 . . . . 0.0 109.669 174.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -52.65 -46.14 67.01 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.887 1.275 . . . . 0.0 112.62 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.53 -36.39 82.58 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.73 -29.55 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.091 0.556 . . . . 0.0 111.115 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.82 -38.14 38.95 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.243 -0.91 . . . . 0.0 112.109 173.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.54 -23.24 62.59 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -84.33 142.57 30.09 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.819 1.248 . . . . 0.0 111.405 177.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 p -79.62 -24.5 41.91 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -169.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -155.74 147.42 23.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.413 1.485 . . . . 0.0 111.903 -174.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -136.0 153.9 51.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.777 1.631 . . . . 0.0 110.843 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -152.6 131.62 12.6 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.277 1.031 . . . . 0.0 110.529 -172.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.2 tp -149.26 126.97 11.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.355 1.462 . . . . 0.0 109.067 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.3 t70 58.21 38.33 26.23 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.793 1.637 . . . . 0.0 112.643 -171.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.6 m 66.69 17.0 10.53 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.079 1.751 . . . . 0.0 113.864 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -115.89 131.75 56.85 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.427 1.891 . . . . 0.0 109.481 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.7 m -66.63 121.87 16.35 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.463 1.105 . . . . 0.0 108.589 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.1 pt -108.08 155.88 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.445 0.698 . . . . 0.0 111.244 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -124.78 82.77 59.9 Favored Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 125.531 1.532 . . . . 0.0 110.359 -177.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -86.41 132.9 3.76 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.768 2.979 . . . . 0.0 110.233 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -153.74 164.05 38.98 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.166 1.386 . . . . 0.0 112.093 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.18 131.09 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 O-C-N 121.273 -0.892 . . . . 0.0 110.844 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.575 0 C-N-CA 123.615 0.766 . . . . 0.0 111.258 177.528 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.7 tttt . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.6 mtp -142.44 139.09 31.49 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 126.331 1.852 . . . . 0.0 111.985 -171.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -82.23 138.55 34.61 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.15 1.78 . . . . 0.0 108.276 167.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mm -121.52 100.67 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.174 0.99 . . . . 0.0 109.202 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.59 167.38 28.5 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 124.062 0.839 . . . . 0.0 113.222 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.96 18.94 79.34 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.13 0.871 . . . . 0.0 115.123 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.33 165.06 14.79 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.863 1.265 . . . . 0.0 112.259 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.5 t -82.6 153.12 25.62 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.471 0.709 . . . . 0.0 111.088 169.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -65.95 -10.81 42.53 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.971 -1.081 . . . . 0.0 112.342 168.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -95.92 -7.32 36.96 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.045 1.338 . . . . 0.0 113.047 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.3 m -68.43 142.7 55.3 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.499 1.045 . . . . 0.0 110.198 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.3 p -121.97 161.68 22.48 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.64 1.576 . . . . 0.0 109.637 173.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.47 -26.2 65.36 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.45 -35.62 75.83 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.872 -0.518 . . . . 0.0 110.598 168.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.57 -33.82 82.3 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.494 1.045 . . . . 0.0 112.429 172.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.77 -49.98 74.22 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 118.566 1.183 . . . . 0.0 110.739 169.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -57.12 -38.8 73.97 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.25 0.932 . . . . 0.0 112.256 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -60.1 -36.68 77.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.719 0.808 . . . . 0.0 112.859 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -84.15 -39.68 19.13 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.49 1.116 . . . . 0.0 113.409 177.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -86.47 -22.28 26.55 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.76 -12.27 52.77 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.071 1.32 . . . . 0.0 113.917 172.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -75.22 -20.03 59.47 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.811 1.245 . . . . 0.0 112.405 173.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -102.49 -39.31 7.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.527 1.531 . . . . 0.0 111.192 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.62 152.45 11.92 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.48 1.514 . . . . 0.0 112.029 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.87 145.81 55.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 117.777 0.788 . . . . 0.0 111.415 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.9 m -102.38 133.53 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.49 1.116 . . . . 0.0 111.421 -171.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.46 -24.25 34.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.034 2.133 . . . . 0.0 112.493 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -164.05 147.32 9.61 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.064 2.146 . . . . 0.0 108.386 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 p -149.59 142.45 24.73 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.848 1.259 . . . . 0.0 110.206 177.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.1 mt -146.53 143.46 28.92 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.289 1.436 . . . . 0.0 111.524 -171.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.3 t -135.74 129.58 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.379 1.471 . . . . 0.0 107.123 167.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.8 mmt -85.86 56.72 4.1 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.499 1.119 . . . . 0.0 112.866 -169.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 60' ' ' SER . 60.8 mtm180 -72.55 124.53 25.42 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.255 1.022 . . . . 0.0 112.691 176.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -70.47 131.71 88.05 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.263 1.425 . . . . 0.0 109.576 169.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -79.6 -12.69 13.68 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.117 1.878 . . . . 0.0 114.309 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -93.81 -40.87 9.95 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.686 1.13 . . . . 0.0 111.555 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.3 p -106.3 -9.68 16.7 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.073 0.949 . . . . 0.0 113.462 -174.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt 68.73 -0.63 2.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.699 2.4 . . . . 0.0 113.381 174.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -74.19 135.72 42.79 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.787 1.235 . . . . 0.0 110.688 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 97.2 p -88.02 -1.62 58.1 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.649 1.58 . . . . 0.0 113.644 -179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 57.74 11.99 1.5 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.815 1.646 . . . . 0.0 112.2 -168.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.99 27.07 73.52 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-O 118.22 -1.322 . . . . 0.0 114.057 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -153.96 162.38 41.26 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.754 1.777 . . . . 0.0 114.939 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.28 -159.2 9.45 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.901 1.715 . . . . 0.0 113.065 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -147.16 150.9 35.86 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.649 1.58 . . . . 0.0 111.037 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.5 t -142.87 133.64 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.653 1.181 . . . . 0.0 110.125 176.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.4 m -110.22 137.85 47.39 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.684 1.593 . . . . 0.0 108.182 170.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.53 150.31 22.81 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.112 0.965 . . . . 0.0 111.151 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 55.6 mtp -70.91 -6.26 37.06 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -155.78 156.52 34.94 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.677 2.391 . . . . 0.0 110.859 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -73.16 -27.77 61.85 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.62 -0.675 . . . . 0.0 112.226 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.12 68.97 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.57 -32.56 78.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 121.195 -0.94 . . . . 0.0 113.004 173.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.34 -47.61 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 118.127 0.963 . . . . 0.0 109.464 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.22 -43.06 74.13 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.891 0.876 . . . . 0.0 112.223 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -65.8 -35.29 80.27 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.6 t -71.28 -40.37 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 122.845 0.458 . . . . 0.0 110.718 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 mt -69.82 -35.49 74.85 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.264 0.626 . . . . 0.0 112.293 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.94 -11.22 60.45 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -105.29 139.99 39.1 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.381 1.472 . . . . 0.0 110.201 176.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.9 t -91.81 -5.6 53.18 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -168.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -162.06 145.39 11.92 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.982 1.313 . . . . 0.0 111.542 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -144.51 156.41 44.15 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.749 1.62 . . . . 0.0 110.637 -177.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -154.58 133.13 12.03 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.936 0.894 . . . . 0.0 110.887 -173.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.0 tp -149.75 129.39 13.16 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.723 1.609 . . . . 0.0 108.983 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.6 t70 57.71 34.8 24.91 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.658 1.583 . . . . 0.0 112.66 -170.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 m 65.92 17.91 10.94 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.882 1.673 . . . . 0.0 113.7 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -115.75 130.94 57.04 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.186 1.795 . . . . 0.0 109.102 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.8 m -73.72 117.08 15.07 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.453 1.101 . . . . 0.0 108.749 -177.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.3 pt -99.3 153.46 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.585 0.754 . . . . 0.0 110.927 -176.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -129.95 76.63 77.91 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.303 1.441 . . . . 0.0 111.094 -171.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -84.79 146.89 10.61 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.709 2.939 . . . . 0.0 112.013 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -159.37 162.42 35.84 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.824 1.65 . . . . 0.0 111.94 -170.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.64 134.99 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 O-C-N 121.186 -0.946 . . . . 0.0 110.913 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 123.886 0.875 . . . . 0.0 113.193 -175.755 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 119.73 -0.176 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 tttt 85.82 135.41 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 129.368 3.067 . . . . 0.0 113.755 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 81.7 mtp -143.05 137.55 29.32 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.091 1.756 . . . . 0.0 112.087 -169.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -80.05 140.17 36.62 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.901 1.68 . . . . 0.0 108.014 167.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 mm -124.02 101.14 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.44 1.096 . . . . 0.0 109.261 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.35 172.49 34.78 Favored Glycine 0 N--CA 1.472 1.076 0 C-N-CA 124.192 0.901 . . . . 0.0 113.201 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.87 17.96 75.72 Favored Glycine 0 CA--C 1.536 1.39 0 N-CA-C 115.378 0.911 . . . . 0.0 115.378 170.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.45 167.0 11.4 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.966 1.306 . . . . 0.0 112.205 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -82.85 153.51 25.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.408 0.683 . . . . 0.0 111.311 170.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -62.71 -12.94 27.01 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.885 -1.134 . . . . 0.0 112.693 168.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -95.12 -7.49 39.23 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.162 1.385 . . . . 0.0 113.202 174.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.6 m -71.4 138.13 48.89 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.42 1.009 . . . . 0.0 110.803 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.6 p -119.31 164.32 15.84 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.17 1.788 . . . . 0.0 109.754 172.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.3 -23.95 64.8 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.22 -35.55 71.55 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.93 -0.481 . . . . 0.0 110.566 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.71 -34.39 83.19 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.391 0.995 . . . . 0.0 112.223 172.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.35 -51.06 70.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 118.462 1.131 . . . . 0.0 110.688 169.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.5 ttt85 -56.44 -38.29 71.42 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.127 0.876 . . . . 0.0 112.314 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.91 -35.16 75.97 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.079 0.952 . . . . 0.0 113.062 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -87.19 -39.45 15.47 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.529 1.131 . . . . 0.0 113.304 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -83.32 -15.36 50.34 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 -174.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.92 -10.9 41.64 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.705 1.145 . . . . 0.0 114.443 171.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -73.04 -25.35 60.9 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.959 1.303 . . . . 0.0 112.605 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -102.39 -24.11 13.88 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.08 1.352 . . . . 0.0 112.404 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 168.36 167.78 29.5 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 125.646 1.593 . . . . 0.0 112.453 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -68.26 127.47 33.06 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 122.176 -0.603 . . . . 0.0 109.963 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 m -85.24 133.65 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.893 0.854 . . . . 0.0 110.768 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -83.44 -24.64 31.77 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.982 2.113 . . . . 0.0 112.757 176.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -164.13 148.43 9.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.407 1.883 . . . . 0.0 109.073 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.0 p -145.75 145.5 30.86 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.111 1.364 . . . . 0.0 110.257 171.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.8 mt -148.28 147.31 29.19 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.511 1.524 . . . . 0.0 110.944 -174.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.2 t -132.53 126.17 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.971 1.308 . . . . 0.0 107.625 168.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.4 mmt -85.98 52.85 2.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.309 1.444 . . . . 0.0 112.031 -170.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -73.06 148.71 43.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.481 1.513 . . . . 0.0 113.582 -175.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -74.68 129.65 83.18 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 125.004 1.322 . . . . 0.0 109.728 170.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.9 -10.91 12.66 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.482 2.121 . . . . 0.0 114.284 -173.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -91.51 -45.28 8.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.488 1.04 . . . . 0.0 110.776 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.0 p -102.57 -11.65 18.34 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.146 0.979 . . . . 0.0 113.194 -172.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 65.73 3.31 2.43 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.977 2.511 . . . . 0.0 113.572 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -56.78 129.01 39.46 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.532 1.533 . . . . 0.0 110.194 171.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.2 p -72.03 -6.32 41.43 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.844 1.258 . . . . 0.0 114.26 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 61.33 4.79 0.99 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.138 1.775 . . . . 0.0 112.414 -167.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.16 19.13 79.84 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 118.14 -1.367 . . . . 0.0 114.138 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -156.79 160.86 39.64 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.97 1.885 . . . . 0.0 115.061 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.71 -157.04 8.28 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.87 1.7 . . . . 0.0 113.261 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -146.06 150.54 36.16 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.734 1.613 . . . . 0.0 111.096 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.6 t -143.34 139.9 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.859 1.264 . . . . 0.0 110.057 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.3 m -119.76 139.7 51.89 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.987 1.715 . . . . 0.0 108.607 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -101.06 153.57 19.45 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.375 1.07 . . . . 0.0 111.849 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.6 mmt -65.63 -13.77 59.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.188 0.995 . . . . 0.0 113.669 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -154.53 154.26 32.81 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.088 1.755 . . . . 0.0 110.93 173.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -59.6 -25.99 65.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.622 1.169 . . . . 0.0 112.957 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -23.82 59.3 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.58 -33.04 28.91 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-N 119.082 0.855 . . . . 0.0 112.954 172.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.14 -47.39 90.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 117.848 0.824 . . . . 0.0 109.162 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -51.66 -45.52 63.42 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.488 1.115 . . . . 0.0 112.72 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -65.49 -39.07 91.48 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.99 -29.39 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.094 0.558 . . . . 0.0 111.12 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 mt -78.77 -38.57 38.27 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.297 -0.877 . . . . 0.0 112.149 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.2 -25.1 63.26 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -83.06 139.99 32.93 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.449 1.1 . . . . 0.0 111.049 176.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -83.67 -14.62 51.39 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 -169.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -159.02 148.08 18.57 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.04 1.336 . . . . 0.0 111.79 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -138.35 154.27 48.96 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.7 1.6 . . . . 0.0 110.701 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -153.91 132.44 12.11 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.289 1.036 . . . . 0.0 110.621 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -148.68 127.44 12.55 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.362 1.465 . . . . 0.0 108.98 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 57.92 38.0 26.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.883 1.673 . . . . 0.0 112.821 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.5 m 66.97 17.16 10.49 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.174 1.79 . . . . 0.0 114.173 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -117.14 131.66 56.84 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.833 1.653 . . . . 0.0 109.652 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -67.69 117.08 9.13 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.757 1.223 . . . . 0.0 108.712 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 pt -98.06 157.38 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-O 121.341 0.591 . . . . 0.0 111.114 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -129.14 78.84 75.47 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.475 1.51 . . . . 0.0 110.921 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -87.83 142.55 5.74 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.692 2.928 . . . . 0.0 111.774 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -158.27 164.22 36.65 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.758 1.623 . . . . 0.0 111.936 -170.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.55 134.21 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 O-C-N 121.1 -1.0 . . . . 0.0 110.622 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.34 135.29 36.68 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.973 0.909 . . . . 0.0 112.899 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -61.68 136.26 94.61 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 123.97 0.908 . . . . 0.0 109.83 169.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -69.44 139.1 40.47 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.399 2.733 . . . . 0.0 112.906 -169.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -148.41 167.26 25.73 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 127.221 2.208 . . . . 0.0 111.363 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -118.74 117.64 29.45 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.149 1.379 . . . . 0.0 110.852 -176.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.28 144.22 57.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.835 0.854 . . . . 0.0 111.414 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -109.77 134.9 20.48 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 124.658 1.183 . . . . 0.0 110.675 -172.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -77.21 150.33 29.03 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.534 2.822 . . . . 0.0 111.735 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.454 1.502 . . . . 0.0 111.886 179.586 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 O4'-C1'-N19 110.386 2.186 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.177 0 O4'-C1'-N19 110.826 2.626 . 0.115 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 100.081 -2.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 1 O4'-C1'-N19 113.502 5.302 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 O4'-C1'-N19 111.405 3.205 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 119.966 -0.064 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -144.63 148.52 34.42 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.177 -0.952 . . . . 0.0 113.216 -172.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.9 mtp -138.76 136.12 35.39 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 125.676 1.59 . . . . 0.0 111.929 -172.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -81.3 138.01 35.74 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.836 1.654 . . . . 0.0 107.408 167.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.9 mm -119.41 99.55 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.108 0.963 . . . . 0.0 108.65 -175.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.41 169.66 29.18 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.207 0.908 . . . . 0.0 113.237 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.45 16.66 79.89 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.009 0.814 . . . . 0.0 114.974 172.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.75 164.83 16.27 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.69 1.196 . . . . 0.0 112.653 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.2 t -80.1 149.6 30.56 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.623 0.769 . . . . 0.0 109.698 168.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -60.23 -13.67 13.7 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.857 -1.152 . . . . 0.0 113.578 169.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -101.51 0.46 36.63 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.003 1.321 . . . . 0.0 113.336 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.9 m -69.41 138.28 53.46 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.615 1.098 . . . . 0.0 110.045 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.1 p -117.85 162.33 18.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.896 1.678 . . . . 0.0 110.176 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.05 -24.81 64.22 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.38 -36.32 76.69 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.0 -0.437 . . . . 0.0 110.289 168.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.05 -34.92 82.77 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.477 1.037 . . . . 0.0 112.436 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.2 mt -60.48 -51.71 68.3 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.545 1.173 . . . . 0.0 110.472 169.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -56.47 -38.77 72.16 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.003 0.82 . . . . 0.0 112.372 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.29 -35.39 77.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.056 0.942 . . . . 0.0 112.757 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -85.22 -39.62 17.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.412 1.085 . . . . 0.0 113.256 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -84.14 -16.9 41.89 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -173.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.29 -10.69 49.26 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.543 1.068 . . . . 0.0 114.375 170.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.18 -26.05 61.92 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.673 1.189 . . . . 0.0 112.491 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -103.43 -29.99 10.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.789 1.236 . . . . 0.0 112.654 -173.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.35 162.93 28.48 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 125.76 1.648 . . . . 0.0 112.143 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -67.45 128.33 36.03 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 117.319 0.56 . . . . 0.0 110.06 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 m -86.32 136.23 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 121.473 0.654 . . . . 0.0 110.84 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -84.38 -25.68 28.93 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.191 1.796 . . . . 0.0 112.603 175.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -166.29 146.02 6.04 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.836 2.055 . . . . 0.0 108.6 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -139.59 147.51 41.23 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.983 1.313 . . . . 0.0 110.299 171.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mt -149.74 141.93 24.08 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.052 1.341 . . . . 0.0 111.103 -172.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -127.55 125.67 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 167.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.5 mmm -91.77 54.83 2.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.191 0.996 . . . . 0.0 111.673 -168.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -74.09 157.1 36.65 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 -169.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -70.0 125.72 92.11 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 124.702 1.201 . . . . 0.0 109.071 168.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.76 -15.93 16.72 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 121.938 1.758 . . . . 0.0 113.467 -177.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.43 -48.24 12.16 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.802 0.841 . . . . 0.0 111.62 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.9 p -109.75 -8.08 14.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.524 1.53 . . . . 0.0 113.583 -169.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 67.89 2.37 3.07 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.02 2.528 . . . . 0.0 113.728 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -55.34 128.98 36.71 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.428 1.491 . . . . 0.0 110.489 172.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.9 p -63.55 -10.03 16.13 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 62.29 9.31 3.19 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.251 1.82 . . . . 0.0 112.461 -169.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.29 15.63 81.32 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 117.68 -1.622 . . . . 0.0 114.353 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -153.99 156.54 37.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.992 1.896 . . . . 0.0 115.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.14 -159.76 9.15 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.123 1.821 . . . . 0.0 112.931 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -149.12 146.29 27.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.169 1.788 . . . . 0.0 110.61 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.0 t -142.24 132.54 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.291 1.036 . . . . 0.0 110.381 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 m -110.18 142.44 41.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.751 2.02 . . . . 0.0 108.175 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -110.5 153.8 24.56 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.297 1.039 . . . . 0.0 111.984 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.9 mmt -68.02 -15.92 63.81 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.264 1.025 . . . . 0.0 113.524 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -157.52 156.23 31.67 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.099 1.76 . . . . 0.0 111.045 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -60.28 -31.06 69.88 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.507 1.123 . . . . 0.0 112.458 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.63 -19.42 57.98 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -175.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.97 -26.38 24.4 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.579 1.082 . . . . 0.0 113.598 170.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.93 -45.85 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.463 1.131 . . . . 0.0 108.941 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -42.1 80.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.692 1.197 . . . . 0.0 112.563 -177.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -63.67 -38.86 92.73 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -70.73 -30.52 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.226 0.611 . . . . 0.0 111.181 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.53 -38.6 48.43 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.499 -0.75 . . . . 0.0 111.981 173.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.59 -22.98 62.5 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -87.47 136.7 32.84 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.732 1.213 . . . . 0.0 110.78 175.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m -83.92 -9.77 58.47 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 -169.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -162.55 146.15 11.49 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.004 1.322 . . . . 0.0 111.712 -172.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -143.62 154.48 43.6 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.659 1.584 . . . . 0.0 110.722 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -152.93 132.99 13.4 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.119 0.968 . . . . 0.0 110.748 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.7 tp -150.74 132.31 14.81 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.644 1.578 . . . . 0.0 109.309 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 t70 57.15 34.8 25.4 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.611 1.564 . . . . 0.0 112.604 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 m 66.51 19.91 10.87 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.073 1.749 . . . . 0.0 113.725 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -120.11 135.27 55.01 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.715 1.606 . . . . 0.0 109.737 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.0 m -75.04 118.48 18.04 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.488 1.115 . . . . 0.0 108.62 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.8 pt -102.99 158.13 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.89 0.876 . . . . 0.0 111.553 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -127.69 83.48 65.96 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 125.613 1.565 . . . . 0.0 110.243 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -87.55 134.35 3.35 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.786 2.991 . . . . 0.0 110.449 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -154.42 164.49 38.56 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.284 1.434 . . . . 0.0 112.153 -169.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.89 132.51 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 121.188 -0.945 . . . . 0.0 110.999 -174.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.19 135.46 37.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.967 0.907 . . . . 0.0 112.641 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -59.75 137.85 90.08 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.137 0.975 . . . . 0.0 110.588 169.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.05 -179.14 4.04 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 124.088 3.192 . . . . 0.0 112.878 -171.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -48.17 129.78 15.41 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.795 1.638 . . . . 0.0 112.764 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . 0.263 0.5 OUTLIER -138.4 17.42 2.75 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 178.197 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -166.76 177.54 6.42 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.488 2.315 . . . . 0.0 110.526 169.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.49 150.97 97.59 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 124.367 1.067 . . . . 0.0 112.131 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.44 146.43 50.1 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.778 2.986 . . . . 0.0 112.454 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.38 1.872 . . . . 0.0 110.948 179.243 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 0 C5'-C4'-C3' 111.183 -2.878 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.235 1 O4'-C1'-N19 112.482 4.282 . 0.517 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 O5'-C5'-C4' 113.261 2.186 . 0.221 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 1 O4'-C1'-N19 114.551 6.351 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 O5'-C5'-C4' 114.216 2.869 . 0.18 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 119.993 -0.051 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -138.04 148.03 44.69 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.124 -0.985 . . . . 0.0 113.036 -171.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.7 mtp -139.23 136.73 35.28 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.711 1.604 . . . . 0.0 112.152 -173.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -80.78 136.44 36.13 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.806 1.643 . . . . 0.0 107.438 167.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mm -118.44 99.22 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.02 172.99 37.4 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.111 0.862 . . . . 0.0 112.777 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.64 15.62 73.48 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.947 0.784 . . . . 0.0 114.842 172.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.58 163.34 16.37 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.418 1.087 . . . . 0.0 111.953 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.3 t -81.98 153.0 26.45 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.893 -0.504 . . . . 0.0 111.267 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.64 -9.64 14.83 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.128 -0.983 . . . . 0.0 113.014 168.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -99.45 -5.43 29.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.278 1.431 . . . . 0.0 113.489 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.4 m -71.57 142.66 50.04 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.59 1.087 . . . . 0.0 110.964 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.5 p -123.17 162.75 21.92 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.209 1.804 . . . . 0.0 110.291 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.48 -28.96 69.58 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.89 -36.46 78.09 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.217 0.462 . . . . 0.0 110.846 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.65 -34.04 86.25 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 118.993 -0.893 . . . . 0.0 112.366 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.02 -51.86 66.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.6 1.2 . . . . 0.0 110.691 169.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -56.53 -38.27 71.63 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.141 0.882 . . . . 0.0 112.348 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.51 -34.45 74.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.136 0.975 . . . . 0.0 112.854 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -88.78 -39.05 14.2 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.51 1.124 . . . . 0.0 113.295 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -84.25 -17.23 40.4 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -173.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.01 -9.94 49.36 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.578 1.085 . . . . 0.0 114.385 170.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -71.4 -25.98 62.58 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.576 1.151 . . . . 0.0 112.367 171.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -103.58 -37.45 7.54 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.009 1.323 . . . . 0.0 111.708 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.13 159.48 27.77 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.118 1.342 . . . . 0.0 112.386 174.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.76 133.08 52.86 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.905 0.482 . . . . 0.0 110.027 175.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.7 m -92.61 134.78 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.835 0.826 . . . . 0.0 111.273 -175.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -85.1 -25.22 27.66 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.041 2.136 . . . . 0.0 112.653 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -163.26 146.03 10.26 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.97 2.108 . . . . 0.0 108.294 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 p -148.16 135.03 20.08 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.261 1.425 . . . . 0.0 109.553 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.87 152.1 40.72 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.28 1.432 . . . . 0.0 111.124 -170.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -136.8 127.99 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.654 1.582 . . . . 0.0 107.1 169.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.3 mmt -90.54 49.29 1.65 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.375 1.07 . . . . 0.0 112.168 -169.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -67.32 146.13 54.41 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -74.59 132.17 78.7 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.634 1.574 . . . . 0.0 110.174 173.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.59 -12.12 12.59 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.473 2.116 . . . . 0.0 114.001 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.6 mt -90.9 -39.42 12.3 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.461 1.028 . . . . 0.0 111.567 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -109.87 -12.84 14.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.451 1.501 . . . . 0.0 113.344 -173.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 65.84 2.32 2.13 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.776 2.431 . . . . 0.0 113.599 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -57.56 130.76 47.8 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.259 1.824 . . . . 0.0 110.062 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 85.9 p -69.77 -6.1 29.88 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 62.45 7.01 2.15 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.157 1.783 . . . . 0.0 112.277 -168.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.16 14.65 82.37 Favored Glycine 0 C--N 1.341 0.851 0 C-N-CA 125.175 1.369 . . . . 0.0 114.596 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -156.27 161.07 40.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.756 1.778 . . . . 0.0 115.411 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.75 -157.01 8.05 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 126.054 1.787 . . . . 0.0 112.709 174.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -146.63 149.65 33.92 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.072 1.349 . . . . 0.0 111.159 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.9 t -141.47 133.09 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.287 1.035 . . . . 0.0 110.279 172.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.3 m -110.87 141.33 44.4 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.433 1.893 . . . . 0.0 107.933 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -108.81 153.58 23.3 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.405 1.082 . . . . 0.0 111.76 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.2 mmt -67.59 -16.23 64.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.202 1.001 . . . . 0.0 113.473 173.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -156.61 156.0 32.78 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.998 1.719 . . . . 0.0 111.14 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -62.01 -24.27 66.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.753 1.221 . . . . 0.0 113.061 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.81 -24.94 62.65 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.75 -38.35 16.76 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-N 119.188 0.904 . . . . 0.0 112.527 172.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.66 -48.63 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.897 0.879 . . . . 0.0 109.502 174.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.77 -46.2 67.47 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.682 1.193 . . . . 0.0 112.662 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -66.14 -36.66 83.71 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.04 -32.24 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.009 0.524 . . . . 0.0 111.041 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.7 mt -76.5 -37.82 56.21 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.446 -0.784 . . . . 0.0 112.081 174.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.35 -13.94 62.36 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -100.51 133.7 44.57 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.247 1.419 . . . . 0.0 110.423 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.8 m -88.14 -3.87 58.82 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -169.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.1 tpt85 -158.54 135.98 10.14 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.399 1.48 . . . . 0.0 110.925 -169.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -140.61 160.97 38.85 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.057 1.343 . . . . 0.0 110.877 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -159.49 135.17 8.54 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.936 0.894 . . . . 0.0 111.616 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -152.56 132.03 12.97 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.742 1.617 . . . . 0.0 108.588 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.9 t70 59.34 30.22 19.9 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.284 1.433 . . . . 0.0 112.296 -169.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.9 m 64.56 18.07 11.19 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.112 1.765 . . . . 0.0 113.358 -175.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -114.42 136.45 52.98 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.013 1.725 . . . . 0.0 109.821 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.6 m -77.36 109.62 11.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.054 0.941 . . . . 0.0 109.391 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.4 pt -93.81 157.52 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 121.326 0.584 . . . . 0.0 111.552 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -134.29 81.24 50.36 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 125.58 1.552 . . . . 0.0 110.525 -172.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -87.38 143.67 6.54 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.971 3.114 . . . . 0.0 111.722 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -157.65 162.15 38.65 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.57 1.548 . . . . 0.0 112.222 -170.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.01 133.57 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 121.336 -0.853 . . . . 0.0 110.657 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.68 141.84 40.78 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.765 0.826 . . . . 0.0 111.876 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -56.95 147.83 52.58 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 123.917 0.887 . . . . 0.0 112.034 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -53.96 142.1 65.51 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 124.127 3.218 . . . . 0.0 113.562 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -148.25 152.89 37.94 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.22 1.808 . . . . 0.0 111.565 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -139.17 120.35 14.71 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.344 1.857 . . . . 0.0 109.487 173.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -167.5 166.4 14.27 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.444 1.897 . . . . 0.0 111.207 -174.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -154.72 160.14 31.2 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.793 1.637 . . . . 0.0 111.327 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.51 158.79 47.33 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.885 2.39 . . . . 0.0 110.353 168.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.252 1.186 0 C-N-CA 125.643 1.577 . . . . 0.0 111.498 -179.767 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 0 O4'-C4'-C3' 108.764 2.331 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.222 0 O4'-C1'-N19 111.651 3.451 . 0.052 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 O5'-C5'-C4' 113.374 2.267 . 0.207 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 1 O4'-C1'-N19 113.388 5.188 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 O4'-C1'-N19 111.487 3.287 . 0.117 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.8 tttt 91.65 135.73 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 129.757 3.223 . . . . 0.0 113.831 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.8 mtp -142.69 138.11 30.35 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 126.291 1.837 . . . . 0.0 111.802 -171.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -81.3 138.42 35.71 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.709 1.603 . . . . 0.0 107.158 167.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 mm -118.13 105.04 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.163 0.985 . . . . 0.0 108.561 -176.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.61 166.45 21.69 Favored Glycine 0 N--CA 1.473 1.116 0 C-N-CA 124.301 0.953 . . . . 0.0 113.15 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.42 16.06 80.09 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.371 0.986 . . . . 0.0 114.951 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.32 166.1 8.61 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.441 1.121 . . . . 0.0 112.342 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -83.04 151.48 25.79 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.247 0.619 . . . . 0.0 111.005 171.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -65.3 -7.06 11.55 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 120.886 -1.134 . . . . 0.0 114.037 173.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -116.7 9.06 13.93 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.755 1.622 . . . . 0.0 113.396 173.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.0 m -67.96 140.67 56.43 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.314 0.961 . . . . 0.0 109.608 171.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.2 p -116.8 159.97 21.53 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.609 1.564 . . . . 0.0 110.281 175.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -68.18 -25.14 65.09 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.06 -36.59 75.09 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.937 -0.477 . . . . 0.0 110.549 168.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.57 -34.06 86.45 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.564 1.078 . . . . 0.0 112.376 172.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.96 -51.24 70.12 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 118.407 1.104 . . . . 0.0 111.005 169.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.6 -39.92 74.41 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.213 0.915 . . . . 0.0 112.134 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.38 -34.0 71.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.089 0.956 . . . . 0.0 112.954 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.71 -41.18 13.53 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.284 1.034 . . . . 0.0 113.363 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -81.47 -18.72 44.25 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -173.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.94 -10.81 48.22 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.654 1.121 . . . . 0.0 114.458 171.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.85 -26.9 63.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.6 1.16 . . . . 0.0 112.426 171.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -100.25 -35.61 9.57 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.38 1.472 . . . . 0.0 111.36 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.98 153.7 11.53 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 126.226 1.87 . . . . 0.0 111.24 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.86 144.85 54.26 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 117.98 0.89 . . . . 0.0 110.743 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 m -99.68 132.52 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 124.171 0.988 . . . . 0.0 110.888 -172.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -80.62 -23.79 39.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.526 1.93 . . . . 0.0 112.396 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -165.15 146.04 7.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.05 2.14 . . . . 0.0 108.481 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.98 143.6 28.55 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.742 1.217 . . . . 0.0 110.215 173.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.6 mt -148.63 145.04 27.58 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.046 1.338 . . . . 0.0 111.433 -171.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.88 127.41 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.034 1.334 . . . . 0.0 107.631 168.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.7 mmt -88.1 43.62 1.14 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.125 1.37 . . . . 0.0 112.518 -170.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -69.52 142.96 53.56 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -82.61 133.64 49.16 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 124.825 1.25 . . . . 0.0 111.337 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -73.37 -15.4 25.11 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.948 2.432 . . . . 0.0 113.456 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.24 -30.98 58.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.553 1.141 . . . . 0.0 113.555 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.7 p -136.79 -6.24 1.92 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.674 1.59 . . . . 0.0 114.174 -173.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 64.38 7.21 3.46 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.586 2.354 . . . . 0.0 113.72 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -68.93 133.57 48.38 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.851 1.26 . . . . 0.0 110.555 176.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.7 p -77.2 -9.16 58.6 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.348 1.459 . . . . 0.0 114.082 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 60.24 10.11 2.21 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.764 1.626 . . . . 0.0 112.242 -167.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.49 23.18 76.09 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-O 117.562 -1.688 . . . . 0.0 114.434 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -149.96 157.67 43.4 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.338 2.069 . . . . 0.0 116.343 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.4 -160.13 9.96 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 126.483 1.992 . . . . 0.0 112.665 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -146.94 149.14 32.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.586 1.555 . . . . 0.0 111.145 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.6 t -143.14 135.91 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.536 1.134 . . . . 0.0 110.326 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.9 m -112.84 139.53 48.4 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.074 1.75 . . . . 0.0 108.201 171.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -103.48 149.86 24.44 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.284 1.034 . . . . 0.0 111.175 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.6 mtp -69.68 -10.62 59.0 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -152.89 152.47 31.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.176 1.791 . . . . 0.0 110.766 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -60.63 -25.98 66.7 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.717 1.207 . . . . 0.0 112.781 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.23 -24.22 58.51 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.33 -35.51 26.32 Favored Glycine 0 N--CA 1.469 0.871 0 CA-C-N 119.062 0.847 . . . . 0.0 112.7 172.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.71 -48.02 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 117.89 0.845 . . . . 0.0 109.31 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.8 -44.98 63.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.338 1.055 . . . . 0.0 112.695 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -67.31 -37.61 83.64 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.61 -30.5 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.064 0.545 . . . . 0.0 111.012 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -77.78 -38.63 46.25 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.437 -0.789 . . . . 0.0 112.087 173.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.22 -19.51 63.15 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -94.11 135.81 35.07 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.009 1.324 . . . . 0.0 110.661 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m -83.19 -9.76 58.99 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -169.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -162.77 146.36 11.22 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.021 1.328 . . . . 0.0 111.618 -173.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -143.16 156.77 44.85 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.701 1.6 . . . . 0.0 110.774 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -153.43 132.57 12.63 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.312 -0.868 . . . . 0.0 111.229 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.9 tp -149.89 132.34 15.67 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.036 1.734 . . . . 0.0 108.804 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.5 t70 59.38 30.11 19.76 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.267 1.427 . . . . 0.0 112.498 -171.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m 65.14 17.29 10.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.242 1.817 . . . . 0.0 113.656 -174.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -112.86 136.1 52.88 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.795 1.638 . . . . 0.0 109.413 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.3 m -79.37 115.25 18.9 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.897 0.879 . . . . 0.0 109.124 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.1 pt -101.72 148.33 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 123.61 0.764 . . . . 0.0 111.247 -175.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -129.09 71.53 81.98 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 125.51 1.524 . . . . 0.0 111.286 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.04 149.27 28.53 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 124.113 3.208 . . . . 0.0 112.227 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -159.53 162.4 35.44 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.684 1.594 . . . . 0.0 112.108 -170.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.85 135.45 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 123.993 0.917 . . . . 0.0 110.889 -176.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.02 143.86 31.26 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -175.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -59.76 157.73 27.2 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 125.675 1.59 . . . . 0.0 111.058 167.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -58.76 165.58 7.91 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.799 2.999 . . . . 0.0 113.723 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.67 160.52 38.98 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.728 1.611 . . . . 0.0 113.55 -168.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -141.33 139.35 33.58 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.35 1.86 . . . . 0.0 110.351 175.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -160.86 173.62 15.06 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.821 1.649 . . . . 0.0 111.536 -174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -148.61 146.51 22.49 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.647 1.579 . . . . 0.0 110.755 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.83 113.49 3.73 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.239 2.626 . . . . 0.0 110.092 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.53 1.532 . . . . 0.0 111.865 -172.807 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 O4'-C4'-C3' 108.296 1.997 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 O4'-C1'-N19 111.401 3.201 . 0.102 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 C5'-C4'-C3' 110.886 -3.076 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 1 O4'-C1'-N19 114.263 6.063 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 O4'-C1'-N19 110.815 2.615 . 0.013 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.9 tttt 97.84 139.02 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 130.377 3.471 . . . . 0.0 113.522 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 81.8 mtp -143.31 139.11 29.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.309 1.844 . . . . 0.0 111.904 -171.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -84.07 138.51 33.02 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.885 1.674 . . . . 0.0 107.525 167.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.8 mm -119.61 106.04 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.124 0.97 . . . . 0.0 108.948 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.8 166.54 20.43 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.206 0.908 . . . . 0.0 113.423 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.78 15.19 80.9 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.388 0.994 . . . . 0.0 115.066 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.58 162.47 8.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.849 1.26 . . . . 0.0 112.369 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -77.41 147.88 35.79 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.791 -0.568 . . . . 0.0 109.874 168.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -58.77 -17.96 27.8 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -106.63 6.93 30.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.079 1.352 . . . . 0.0 113.744 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.3 m -65.05 133.12 50.95 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.52 1.054 . . . . 0.0 109.416 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -108.7 161.86 14.7 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.462 1.505 . . . . 0.0 110.288 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.01 -22.86 64.04 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.26 -37.0 71.94 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.999 -0.438 . . . . 0.0 110.332 167.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.62 -33.33 84.14 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.738 1.161 . . . . 0.0 112.524 173.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.21 -51.23 69.86 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.418 1.109 . . . . 0.0 111.217 169.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -57.19 -39.39 75.27 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.419 1.009 . . . . 0.0 112.05 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.64 -34.78 73.24 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.92 0.888 . . . . 0.0 113.064 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -86.57 -40.65 14.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.383 1.073 . . . . 0.0 113.388 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -82.41 -17.59 44.91 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -173.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.1 -11.17 44.21 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.653 1.12 . . . . 0.0 114.429 171.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -71.41 -26.24 62.67 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.819 1.248 . . . . 0.0 112.44 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -100.93 -26.03 13.88 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.387 1.475 . . . . 0.0 111.874 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 166.49 158.95 11.56 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 126.32 1.914 . . . . 0.0 111.629 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.54 145.81 55.56 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 117.893 0.846 . . . . 0.0 110.707 175.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.5 m -104.86 133.8 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 124.676 1.191 . . . . 0.0 111.132 -170.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -79.76 -24.72 41.33 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.008 2.123 . . . . 0.0 112.33 176.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -163.89 145.68 9.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.429 1.892 . . . . 0.0 109.065 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.3 m -143.19 137.36 28.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.919 1.687 . . . . 0.0 108.961 172.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.4 mt -145.63 145.83 31.1 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.058 1.343 . . . . 0.0 111.599 -171.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.5 t -129.68 128.96 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.006 1.323 . . . . 0.0 108.158 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.8 mmt -93.56 47.33 1.23 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.294 1.437 . . . . 0.0 111.68 -170.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -63.03 160.11 15.75 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.987 1.315 . . . . 0.0 114.54 -171.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -76.93 129.9 77.36 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 125.458 1.503 . . . . 0.0 109.953 169.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.76 -12.47 13.55 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.48 2.12 . . . . 0.0 114.268 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -87.96 -44.02 11.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.517 1.053 . . . . 0.0 111.064 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.5 p -106.05 -12.78 15.66 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.204 1.402 . . . . 0.0 113.265 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 66.16 3.6 2.76 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.906 2.483 . . . . 0.0 113.418 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -57.55 127.98 34.74 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.409 1.884 . . . . 0.0 110.253 172.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.1 p -60.2 -12.1 7.87 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 62.17 10.94 4.05 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.424 1.89 . . . . 0.0 112.477 -169.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.54 14.91 81.62 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 117.445 -1.753 . . . . 0.0 114.563 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -153.27 157.0 39.5 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.509 2.154 . . . . 0.0 116.443 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.31 -161.54 10.66 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.348 1.927 . . . . 0.0 113.117 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -146.56 148.86 32.58 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.824 1.65 . . . . 0.0 110.758 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.4 t -143.83 138.47 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.609 1.163 . . . . 0.0 110.132 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.1 m -121.73 135.32 54.94 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.572 1.549 . . . . 0.0 108.497 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -95.06 154.76 17.03 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.022 0.929 . . . . 0.0 112.111 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -65.42 -16.5 63.69 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -154.75 154.57 33.04 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.211 1.804 . . . . 0.0 111.083 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -58.64 -26.7 64.01 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.768 1.227 . . . . 0.0 113.029 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.3 -23.69 57.19 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.54 -33.43 28.04 Favored Glycine 0 N--CA 1.47 0.908 0 CA-C-N 119.076 0.853 . . . . 0.0 112.904 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.83 -47.58 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.937 0.869 . . . . 0.0 109.13 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -51.87 -45.02 63.93 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.448 1.099 . . . . 0.0 112.641 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.53 -38.62 87.56 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.48 -29.38 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.975 0.51 . . . . 0.0 110.966 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.3 mt -78.78 -38.81 37.56 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.282 -0.886 . . . . 0.0 112.075 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.54 -24.05 63.67 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -87.71 135.26 33.45 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.673 1.189 . . . . 0.0 110.627 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -81.14 -11.44 59.46 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 -169.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -163.01 147.61 11.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.107 1.363 . . . . 0.0 111.696 -173.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -142.02 155.62 45.42 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.833 1.653 . . . . 0.0 110.718 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -153.77 132.38 12.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.078 0.951 . . . . 0.0 110.731 -174.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.4 tp -148.67 127.83 12.88 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.694 1.598 . . . . 0.0 109.036 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.0 t70 59.11 36.98 24.29 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.645 1.578 . . . . 0.0 112.562 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 m 65.78 19.54 11.37 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.898 1.679 . . . . 0.0 113.588 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -120.17 129.47 54.14 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.405 1.882 . . . . 0.0 109.126 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.5 m -73.98 120.0 18.97 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.506 1.122 . . . . 0.0 108.73 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -103.5 152.61 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.78 0.832 . . . . 0.0 111.234 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -128.19 75.28 78.95 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.557 1.543 . . . . 0.0 110.933 -172.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -82.33 147.52 14.37 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.833 3.022 . . . . 0.0 111.851 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -157.98 159.65 36.66 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.572 1.549 . . . . 0.0 111.977 -169.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.27 135.58 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 O-C-N 121.319 -0.863 . . . . 0.0 110.731 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.55 142.09 34.47 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -57.77 166.13 2.05 Favored Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 126.009 1.724 . . . . 0.0 112.807 169.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -53.11 167.55 0.7 Allowed 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 124.558 3.506 . . . . 0.0 115.001 174.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -154.34 145.72 23.03 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.423 1.489 . . . . 0.0 112.142 -168.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -141.89 112.54 7.21 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.187 1.795 . . . . 0.0 110.248 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -163.58 145.38 9.46 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.368 1.867 . . . . 0.0 110.466 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -159.68 164.91 19.12 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 125.381 1.472 . . . . 0.0 111.846 -174.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -63.27 155.72 60.05 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.544 2.829 . . . . 0.0 111.897 168.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt . . . . . 0 C--O 1.253 1.268 0 C-N-CA 126.811 2.044 . . . . 0.0 112.743 175.785 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.392 0 O4'-C4'-C3' 108.262 1.973 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.036 0 O4'-C1'-N19 112.03 3.83 . 0.486 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C5'-C4'-C3' 111.441 -2.706 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 1 O4'-C1'-N19 113.644 5.444 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 O4'-C1'-N19 112.077 3.877 . 0.01 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 110.762 -0.088 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -133.91 145.98 50.1 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.887 -1.133 . . . . 0.0 112.79 -169.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.5 mtp -141.21 137.52 32.67 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.504 1.522 . . . . 0.0 112.362 -173.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -83.57 138.16 33.51 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.601 1.561 . . . . 0.0 107.924 167.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.9 mm -120.34 101.82 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.23 1.012 . . . . 0.0 108.774 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.44 168.89 25.69 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.202 0.906 . . . . 0.0 113.319 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.72 16.14 80.4 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.189 0.899 . . . . 0.0 115.153 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt -65.25 164.49 13.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.766 1.226 . . . . 0.0 112.679 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.8 t -84.38 153.09 23.65 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.991 0.916 . . . . 0.0 111.136 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -67.8 -2.86 7.92 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.985 -1.072 . . . . 0.0 112.889 168.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -101.97 -4.72 25.64 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.007 1.323 . . . . 0.0 113.028 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.4 m -71.96 141.4 49.42 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.56 1.073 . . . . 0.0 110.809 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.6 p -121.98 161.88 22.12 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.438 1.895 . . . . 0.0 110.084 174.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -70.0 -29.32 66.37 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.972 0.509 . . . . 0.0 112.358 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.44 -38.85 92.74 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.653 0.781 . . . . 0.0 110.254 168.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.91 -33.05 78.61 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.92 1.248 . . . . 0.0 112.717 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.33 -50.15 72.75 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.927 1.364 . . . . 0.0 110.96 169.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -56.78 -40.11 75.29 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.73 1.15 . . . . 0.0 111.972 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -60.46 -33.15 72.14 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.772 0.829 . . . . 0.0 112.857 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -88.58 -29.97 19.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.867 1.267 . . . . 0.0 114.355 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.18 -17.36 20.88 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.3 -11.13 58.66 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.573 1.083 . . . . 0.0 114.913 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.8 -15.88 57.85 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.874 1.27 . . . . 0.0 113.217 172.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -100.7 -33.62 10.19 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.55 1.14 . . . . 0.0 111.508 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.89 154.0 11.04 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.032 1.777 . . . . 0.0 111.267 173.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.29 145.0 54.92 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 117.68 0.74 . . . . 0.0 110.622 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.2 m -102.6 133.92 44.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 124.293 1.037 . . . . 0.0 110.897 -171.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -83.43 -22.94 32.5 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.861 2.064 . . . . 0.0 112.834 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -164.71 146.46 8.17 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.138 2.175 . . . . 0.0 108.19 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.3 p -145.59 140.84 27.68 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.777 1.231 . . . . 0.0 110.012 174.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.6 mt -145.22 143.73 30.43 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.334 1.454 . . . . 0.0 111.262 -169.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.5 t -134.34 127.6 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 167.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.9 mmt -85.82 53.19 2.69 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.394 1.078 . . . . 0.0 111.92 -169.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -84.34 151.13 24.93 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -173.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -85.05 129.14 57.26 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 123.847 0.859 . . . . 0.0 109.427 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.79 -15.44 19.06 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.044 2.496 . . . . 0.0 113.678 -174.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.11 -30.0 49.26 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.3 1.04 . . . . 0.0 113.18 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 73.8 p -128.18 -13.6 5.01 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.117 1.767 . . . . 0.0 113.798 -170.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 64.2 6.64 3.05 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.546 2.338 . . . . 0.0 113.919 -174.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.5 mtm105 -53.11 122.24 9.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.605 1.162 . . . . 0.0 109.766 169.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.1 p -88.27 -5.69 58.21 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 63.48 5.1 1.97 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.151 1.78 . . . . 0.0 112.63 -168.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.39 20.05 78.01 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 118.023 -1.432 . . . . 0.0 113.981 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -154.12 159.07 41.31 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.778 1.789 . . . . 0.0 115.437 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.26 -158.63 9.11 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.665 1.602 . . . . 0.0 113.036 173.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -146.17 149.42 33.93 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.593 1.557 . . . . 0.0 110.829 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.2 t -140.36 137.82 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.403 1.081 . . . . 0.0 109.781 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -116.33 136.79 52.69 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.095 1.758 . . . . 0.0 107.391 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -104.09 152.47 22.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.032 0.933 . . . . 0.0 111.77 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.15 -14.5 62.97 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.982 0.913 . . . . 0.0 113.461 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -156.63 153.7 28.99 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.021 1.728 . . . . 0.0 110.931 173.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -62.24 -24.51 67.29 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.213 1.005 . . . . 0.0 112.256 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.62 -19.87 52.08 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.41 -37.57 10.74 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.938 0.79 . . . . 0.0 112.439 170.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.6 t -60.81 -47.74 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.944 0.897 . . . . 0.0 109.518 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.44 -45.72 69.56 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.732 1.213 . . . . 0.0 112.499 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -68.14 -33.22 74.08 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.81 -39.09 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.171 0.441 . . . . 0.0 110.479 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -71.08 -36.55 72.29 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.195 -0.941 . . . . 0.0 112.216 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.81 -16.55 63.3 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -91.65 142.64 27.4 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.578 1.151 . . . . 0.0 111.507 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 p -79.24 -24.45 43.02 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -170.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -154.19 146.61 23.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.536 1.534 . . . . 0.0 111.581 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -133.66 153.38 51.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.292 1.437 . . . . 0.0 110.981 173.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -157.31 129.34 7.17 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.86 0.864 . . . . 0.0 111.01 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.3 tp -149.11 127.3 12.08 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.546 1.538 . . . . 0.0 108.539 -175.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 59.06 33.0 22.69 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.503 1.521 . . . . 0.0 112.955 -170.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.7 m 65.07 20.92 12.16 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.666 1.587 . . . . 0.0 113.677 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -113.33 132.34 55.61 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.068 1.747 . . . . 0.0 109.232 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.4 m -66.42 117.99 9.43 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 173.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.0 pt -101.53 156.73 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.417 0.627 . . . . 0.0 110.732 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -129.65 81.44 69.56 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 125.046 1.338 . . . . 0.0 110.626 -173.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -86.45 140.09 6.17 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.901 3.067 . . . . 0.0 111.136 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.58 160.98 40.92 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.418 1.487 . . . . 0.0 111.831 -169.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.35 133.79 27.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 O-C-N 121.443 -0.786 . . . . 0.0 110.522 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.23 136.03 47.79 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.731 0.812 . . . . 0.0 111.174 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -52.48 130.91 44.61 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 123.985 0.914 . . . . 0.0 113.141 -171.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -81.04 178.79 6.52 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 124.426 3.418 . . . . 0.0 111.853 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 94.9 mtm-85 -137.73 140.86 40.94 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.509 1.523 . . . . 0.0 111.12 176.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -76.32 112.39 12.77 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 169.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 60.23 -167.94 0.17 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.609 1.564 . . . . 0.0 111.511 -168.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -140.76 149.08 55.35 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 124.785 1.234 . . . . 0.0 110.652 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -73.17 150.15 47.23 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.523 2.815 . . . . 0.0 111.722 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.781 1.632 . . . . 0.0 111.462 -178.209 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 C5'-C4'-C3' 111.146 -2.903 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.305 1 O4'-C1'-N19 112.626 4.426 . 0.475 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.706 0 O5'-C5'-C4' 113.413 2.295 . 0.165 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.146 1 O4'-C1'-N19 113.215 5.015 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 O4'-C1'-N19 112.186 3.986 . 0.103 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.4 m . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 119.84 -0.124 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -146.28 147.73 31.7 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.021 -1.049 . . . . 0.0 113.694 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mtp -137.94 137.0 37.54 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.811 1.644 . . . . 0.0 112.358 -173.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -83.21 135.7 34.68 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.891 1.676 . . . . 0.0 107.038 167.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.6 mm -116.04 100.79 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.151 0.98 . . . . 0.0 108.52 -173.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.41 164.44 22.19 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.242 0.925 . . . . 0.0 113.453 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.85 15.76 80.82 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.37 0.986 . . . . 0.0 115.105 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.71 166.98 7.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.896 1.278 . . . . 0.0 113.011 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 t -84.52 152.87 23.64 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.913 0.885 . . . . 0.0 110.652 169.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -68.26 -5.46 18.55 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.922 -1.111 . . . . 0.0 112.821 169.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -96.59 -7.57 34.02 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.75 1.22 . . . . 0.0 112.985 169.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -71.54 138.43 48.85 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.597 1.09 . . . . 0.0 110.527 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.8 p -119.83 163.72 17.07 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.978 1.711 . . . . 0.0 109.819 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.92 -24.19 65.17 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.73 -38.56 80.29 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 122.897 0.479 . . . . 0.0 110.247 168.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.6 -34.06 82.78 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.529 1.061 . . . . 0.0 112.5 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.94 -52.38 65.29 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.495 1.147 . . . . 0.0 110.489 169.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -55.8 -39.03 70.75 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.108 0.867 . . . . 0.0 112.286 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.94 -35.3 76.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.087 0.955 . . . . 0.0 112.944 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -86.17 -39.39 16.7 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.392 1.077 . . . . 0.0 113.237 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -84.16 -17.06 41.25 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -172.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.37 -10.49 48.6 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.608 1.099 . . . . 0.0 114.39 170.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -72.17 -25.84 61.84 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.669 1.188 . . . . 0.0 112.444 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -103.08 -38.2 7.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.936 1.294 . . . . 0.0 111.722 -174.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.78 159.79 29.58 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.212 1.387 . . . . 0.0 112.246 174.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.98 128.68 36.87 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.19 0.495 . . . . 0.0 109.973 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 m -85.79 136.91 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.512 0.672 . . . . 0.0 110.889 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -89.59 -22.61 22.26 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.37 1.868 . . . . 0.0 112.936 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -166.62 142.98 4.69 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.511 2.324 . . . . 0.0 107.793 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.1 p -141.12 144.54 34.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.691 1.196 . . . . 0.0 109.911 172.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.9 mt -149.21 144.06 26.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.49 1.116 . . . . 0.0 111.617 -169.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.5 t -129.47 126.53 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.133 1.373 . . . . 0.0 107.363 168.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.5 mmt -90.83 43.03 1.13 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.454 1.502 . . . . 0.0 113.011 -168.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -63.68 153.14 37.07 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.726 1.21 . . . . 0.0 113.986 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -78.43 129.63 74.07 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.512 1.125 . . . . 0.0 109.929 170.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.5 -11.25 14.39 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 122.446 2.098 . . . . 0.0 114.229 -173.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.08 -44.84 10.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.556 1.071 . . . . 0.0 111.187 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.9 p -109.76 -8.93 14.86 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.062 1.345 . . . . 0.0 113.579 -171.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 68.12 2.98 3.42 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.568 2.347 . . . . 0.0 113.896 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -58.15 135.04 56.98 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.256 0.935 . . . . 0.0 110.761 172.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.7 p -76.97 -10.27 59.25 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 60.01 14.03 4.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.917 1.687 . . . . 0.0 112.172 -168.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.45 23.31 78.14 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-O 117.881 -1.51 . . . . 0.0 113.891 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -154.43 159.2 40.94 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.858 1.829 . . . . 0.0 115.842 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.04 -157.57 8.44 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.992 1.758 . . . . 0.0 112.738 173.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -147.35 147.92 30.82 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.691 1.596 . . . . 0.0 110.849 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.9 t -142.25 129.43 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.581 1.153 . . . . 0.0 110.507 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.5 m -104.66 143.75 32.65 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.667 1.987 . . . . 0.0 108.116 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -112.85 151.03 30.91 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.555 1.142 . . . . 0.0 111.491 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -67.17 -15.17 63.55 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.237 1.015 . . . . 0.0 113.463 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -156.26 156.07 33.44 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.163 1.785 . . . . 0.0 110.922 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -62.69 -24.42 67.64 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.556 1.142 . . . . 0.0 112.98 177.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.74 -25.06 62.61 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.19 -37.37 18.48 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.175 0.898 . . . . 0.0 112.636 172.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.7 -48.49 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 123.827 0.851 . . . . 0.0 109.342 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.66 -45.9 66.95 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.888 1.275 . . . . 0.0 112.624 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -66.18 -37.75 86.37 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.5 t -69.85 -29.21 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 122.954 0.502 . . . . 0.0 111.075 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.75 -39.07 37.13 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.318 -0.864 . . . . 0.0 111.973 173.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.39 -26.36 63.66 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -176.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -85.28 135.35 33.95 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.519 1.128 . . . . 0.0 110.744 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -81.14 -11.15 59.52 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -169.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -162.83 147.15 11.53 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.018 1.327 . . . . 0.0 111.729 -173.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -142.73 156.43 45.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.86 1.664 . . . . 0.0 110.641 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -153.81 132.53 12.27 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.964 0.906 . . . . 0.0 111.066 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.1 tp -149.8 129.57 13.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.732 1.613 . . . . 0.0 108.966 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.6 t70 58.11 34.29 24.03 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.682 1.593 . . . . 0.0 112.668 -170.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.6 m 65.65 17.86 11.03 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.87 1.668 . . . . 0.0 113.643 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -114.47 131.7 56.53 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.094 1.757 . . . . 0.0 109.135 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 m -72.62 119.07 16.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.283 1.033 . . . . 0.0 108.701 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.3 pt -103.13 150.28 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.717 0.807 . . . . 0.0 111.038 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -127.86 68.97 76.1 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 125.52 1.528 . . . . 0.0 111.149 -172.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -74.37 148.2 38.0 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.93 3.087 . . . . 0.0 111.918 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -158.43 165.06 35.57 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.045 1.738 . . . . 0.0 111.661 -170.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.92 133.8 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 121.209 -0.932 . . . . 0.0 110.782 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.0 139.25 34.65 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.179 0.992 . . . . 0.0 113.133 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -63.76 146.07 97.15 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 123.936 0.894 . . . . 0.0 109.878 168.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.07 164.94 25.69 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.528 2.818 . . . . 0.0 112.623 -174.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -68.0 138.85 56.2 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.685 0.794 . . . . 0.0 111.585 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -83.12 104.21 13.14 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.47 1.108 . . . . 0.0 108.642 173.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 60.71 -166.94 0.19 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.128 1.771 . . . . 0.0 112.212 -171.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -76.88 136.71 66.44 Favored Pre-proline 0 CA--C 1.547 0.86 0 O-C-N 121.362 -0.836 . . . . 0.0 110.456 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -76.85 166.2 27.31 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.608 2.872 . . . . 0.0 112.652 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.241 1.817 . . . . 0.0 111.626 -178.805 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C5'-C4'-C3' 111.175 -2.884 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.275 1 O4'-C1'-N19 112.378 4.178 . 0.424 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 0 O5'-C5'-C4' 113.739 2.528 . 0.222 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 1 O4'-C1'-N19 113.402 5.202 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 O4'-C4'-C3' 108.168 1.905 . 0.027 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 119.744 -0.17 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -141.25 147.36 38.14 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 120.751 -1.218 . . . . 0.0 113.737 -170.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.6 mtp -140.68 137.73 33.75 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.924 1.69 . . . . 0.0 112.063 -171.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -82.4 138.1 34.54 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.087 1.755 . . . . 0.0 107.741 167.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.3 mm -120.23 99.45 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 124.179 0.992 . . . . 0.0 108.838 -176.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.8 172.0 36.64 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.041 0.829 . . . . 0.0 112.732 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.48 16.51 77.5 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.971 0.796 . . . . 0.0 114.992 171.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.5 163.09 19.29 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.581 1.152 . . . . 0.0 112.156 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.9 t -79.38 152.33 30.44 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.251 0.62 . . . . 0.0 110.906 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -62.52 -12.05 20.08 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.012 -1.055 . . . . 0.0 113.031 168.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.71 -6.71 35.77 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.805 1.242 . . . . 0.0 113.222 174.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 79.9 m -69.77 138.53 52.83 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.616 1.098 . . . . 0.0 110.588 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.6 p -119.59 163.39 17.41 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.056 1.742 . . . . 0.0 109.941 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -68.87 -23.24 64.19 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.21 -36.56 71.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.747 0.419 . . . . 0.0 110.349 168.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.39 -34.29 84.53 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.443 1.02 . . . . 0.0 112.298 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.12 -50.76 71.91 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 118.544 1.172 . . . . 0.0 110.775 169.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -56.88 -39.06 73.65 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.32 0.964 . . . . 0.0 112.228 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.33 -34.62 74.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.132 0.973 . . . . 0.0 112.961 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -87.62 -37.94 16.35 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.482 1.113 . . . . 0.0 113.437 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -86.24 -15.48 40.68 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -173.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.27 -9.74 44.11 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.502 1.049 . . . . 0.0 114.427 170.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -72.89 -25.71 61.17 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.768 1.227 . . . . 0.0 112.555 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -103.51 -32.64 9.37 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.916 1.286 . . . . 0.0 112.224 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.15 166.39 35.87 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.992 1.282 . . . . 0.0 112.496 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.63 127.1 31.51 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.344 -0.504 . . . . 0.0 109.776 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.4 m -86.15 137.63 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.646 0.736 . . . . 0.0 110.939 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -85.92 -26.1 25.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.2 1.8 . . . . 0.0 112.503 175.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -167.44 135.9 2.55 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.47 1.908 . . . . 0.0 108.935 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.1 m -125.76 142.29 51.58 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.975 1.31 . . . . 0.0 109.246 169.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.7 mt -143.9 143.41 31.26 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.796 1.239 . . . . 0.0 111.754 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -132.23 128.89 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.278 1.431 . . . . 0.0 107.753 168.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.8 mmt -89.54 44.6 1.22 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.06 1.344 . . . . 0.0 112.333 -169.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -66.47 150.36 49.06 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.54 128.96 84.81 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 124.868 1.267 . . . . 0.0 109.582 169.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.72 -11.73 12.58 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.594 2.196 . . . . 0.0 114.153 -174.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -91.88 -44.34 8.98 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.367 0.985 . . . . 0.0 110.816 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.8 p -104.37 -9.83 18.21 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.115 0.966 . . . . 0.0 113.157 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 67.66 1.6 2.67 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.377 2.671 . . . . 0.0 114.004 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -61.38 130.64 47.06 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.074 1.349 . . . . 0.0 110.108 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.4 p -71.02 -7.2 44.7 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.29 1.436 . . . . 0.0 114.222 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 64.06 6.19 2.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.442 1.897 . . . . 0.0 112.294 -168.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.64 14.94 81.9 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.235 1.398 . . . . 0.0 114.482 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -156.2 162.47 40.18 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.646 1.723 . . . . 0.0 115.023 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.26 -156.07 7.75 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 125.791 1.663 . . . . 0.0 112.941 172.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -146.27 149.89 34.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.684 1.594 . . . . 0.0 111.031 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.5 t -141.33 135.36 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.5 1.12 . . . . 0.0 110.182 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 m -116.21 141.38 48.22 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.927 2.091 . . . . 0.0 108.099 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -109.99 154.56 22.99 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.529 1.132 . . . . 0.0 112.119 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.7 mmt -68.31 -19.42 64.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.049 0.94 . . . . 0.0 113.125 171.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -148.72 146.25 28.01 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.542 1.937 . . . . 0.0 110.793 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -64.09 -21.68 66.63 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.702 0.801 . . . . 0.0 112.369 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.95 -24.67 62.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.525 1.13 . . . . 0.0 113.873 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.14 -38.01 16.62 Favored Glycine 0 N--CA 1.47 0.952 0 CA-C-N 119.224 0.92 . . . . 0.0 112.426 171.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.63 -47.93 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.748 0.819 . . . . 0.0 109.497 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -52.3 -46.61 66.0 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.825 1.25 . . . . 0.0 112.737 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -64.88 -38.37 90.75 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.1 -29.28 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 122.931 0.492 . . . . 0.0 111.118 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.93 -38.59 36.87 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.321 -0.862 . . . . 0.0 111.967 173.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.38 -24.6 62.98 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -176.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -85.93 135.67 33.58 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.528 1.131 . . . . 0.0 110.685 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -82.25 -9.85 59.34 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -169.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -162.48 145.59 11.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.014 1.326 . . . . 0.0 111.692 -173.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -143.54 153.84 43.0 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.708 1.603 . . . . 0.0 110.691 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -153.51 132.85 12.77 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.015 0.926 . . . . 0.0 110.919 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.3 tp -149.53 130.2 14.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.684 1.594 . . . . 0.0 109.067 -177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 57.26 35.4 26.08 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.682 1.593 . . . . 0.0 112.596 -170.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.4 m 65.49 19.25 11.51 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.683 1.593 . . . . 0.0 113.558 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -117.77 132.98 56.39 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.818 1.647 . . . . 0.0 109.552 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.5 m -74.6 116.83 15.73 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.475 1.11 . . . . 0.0 108.714 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.1 pt -98.94 158.83 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.655 0.782 . . . . 0.0 111.485 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -128.21 79.18 74.39 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.706 1.602 . . . . 0.0 110.564 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -87.97 134.88 3.22 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.908 3.072 . . . . 0.0 110.61 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 pttt -159.33 162.71 35.98 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.088 1.355 . . . . 0.0 112.279 -168.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.26 132.43 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.923 0.889 . . . . 0.0 111.228 -171.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.01 136.85 39.97 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.867 0.867 . . . . 0.0 111.678 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -56.26 139.73 72.67 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.0 0.92 . . . . 0.0 112.002 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -72.16 164.14 36.56 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.855 3.037 . . . . 0.0 112.612 -174.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -151.14 -176.43 5.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.124 1.77 . . . . 0.0 111.831 -175.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -140.36 149.88 43.25 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.571 1.548 . . . . 0.0 111.5 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -163.58 163.95 24.35 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.588 1.955 . . . . 0.0 111.174 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -83.2 158.63 63.78 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 123.872 0.869 . . . . 0.0 112.13 175.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.94 155.21 57.86 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.811 2.34 . . . . 0.0 110.336 168.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.613 1.565 . . . . 0.0 111.577 -177.538 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.392 0 O4'-C4'-C3' 108.701 2.287 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.108 0 O4'-C1'-N19 111.906 3.706 . 0.087 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 O5'-C5'-C4' 113.39 2.279 . 0.206 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 1 O4'-C1'-N19 112.723 4.523 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.381 0 O4'-C1'-N19 110.899 2.699 . 0.231 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 77.8 tttt 143.32 139.02 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.485 1 C-N-CA 131.918 4.087 . . . . 0.0 111.211 169.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.3 mtp -140.75 137.51 33.47 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.878 1.671 . . . . 0.0 112.246 -170.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -82.29 138.09 34.66 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.068 1.747 . . . . 0.0 107.973 168.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.6 mm -119.87 98.65 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.304 1.041 . . . . 0.0 108.788 -175.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.45 168.87 31.12 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 124.006 0.812 . . . . 0.0 113.333 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.85 16.41 80.43 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.138 0.875 . . . . 0.0 115.063 172.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.38 159.78 26.15 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.505 1.122 . . . . 0.0 112.71 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.4 t -76.97 149.21 35.97 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.152 0.981 . . . . 0.0 110.61 168.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -64.03 -7.88 9.99 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.886 -1.134 . . . . 0.0 114.005 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -95.35 -2.37 49.3 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.558 1.143 . . . . 0.0 112.752 174.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.3 m -72.2 142.74 49.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.205 1.002 . . . . 0.0 111.107 -173.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -121.22 159.1 26.64 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.71 1.604 . . . . 0.0 109.774 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -68.97 -26.4 65.02 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.59 -34.95 76.67 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 122.025 -0.422 . . . . 0.0 110.611 168.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.86 -34.44 82.51 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.644 1.116 . . . . 0.0 112.443 172.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.8 -49.75 75.09 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.651 1.225 . . . . 0.0 110.723 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -57.73 -37.9 74.38 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.114 0.87 . . . . 0.0 112.286 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.58 -36.09 77.66 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.655 0.782 . . . . 0.0 112.8 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -84.31 -42.26 15.99 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.48 1.112 . . . . 0.0 113.324 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -82.33 -22.47 35.57 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.47 -12.85 57.31 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.139 1.352 . . . . 0.0 114.002 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -75.13 -20.21 59.52 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.525 1.13 . . . . 0.0 112.361 173.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -97.93 -42.08 7.7 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.414 1.486 . . . . 0.0 110.927 174.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.03 155.14 15.33 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.37 1.462 . . . . 0.0 112.326 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.48 146.08 52.54 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 117.491 0.646 . . . . 0.0 111.516 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 m -103.22 133.15 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.655 1.182 . . . . 0.0 111.413 -172.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -80.11 -25.82 39.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.848 2.459 . . . . 0.0 112.517 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -161.33 146.43 13.74 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.539 1.936 . . . . 0.0 108.717 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.5 p -149.15 142.52 25.21 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.775 1.23 . . . . 0.0 110.382 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -147.74 144.27 28.15 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.66 1.584 . . . . 0.0 111.094 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.3 t -125.87 121.69 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 166.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 65.7 mmm -87.82 52.67 2.54 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.195 0.998 . . . . 0.0 112.251 -168.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -73.62 153.72 40.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.663 1.185 . . . . 0.0 113.939 -170.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.77 129.67 88.0 Favored Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 124.91 1.284 . . . . 0.0 109.788 169.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -80.11 -10.53 13.8 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 122.12 1.88 . . . . 0.0 114.15 -172.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -89.17 -41.66 12.12 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.869 1.213 . . . . 0.0 111.348 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.2 p -108.12 -13.08 15.0 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.246 1.418 . . . . 0.0 113.5 -172.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 65.92 4.22 2.9 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.725 2.41 . . . . 0.0 113.634 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.87 126.53 27.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.294 1.838 . . . . 0.0 110.135 171.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.5 p -67.68 -7.28 25.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.974 1.31 . . . . 0.0 114.37 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 61.46 8.29 2.14 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.78 1.632 . . . . 0.0 112.13 -168.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.49 18.23 79.91 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-O 117.799 -1.556 . . . . 0.0 114.475 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -155.25 159.37 40.0 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 120.021 1.91 . . . . 0.0 115.476 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -150.07 -162.18 10.34 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 126.027 1.775 . . . . 0.0 112.984 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -144.96 147.95 33.27 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.658 1.583 . . . . 0.0 110.804 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.4 t -143.31 139.78 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.76 1.224 . . . . 0.0 110.205 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.1 m -122.18 138.16 54.57 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.734 1.614 . . . . 0.0 108.14 172.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -96.6 155.23 16.86 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.203 1.001 . . . . 0.0 112.279 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.29 -15.65 60.59 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 173.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -153.39 156.21 37.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.348 1.859 . . . . 0.0 110.443 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -57.83 -27.86 63.55 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.42 1.088 . . . . 0.0 112.703 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.75 -28.48 56.12 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.66 -31.54 60.42 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-N 119.134 0.879 . . . . 0.0 112.942 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.24 -46.52 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-N 117.852 0.826 . . . . 0.0 109.218 171.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.49 -44.24 76.36 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.959 0.904 . . . . 0.0 112.153 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -64.33 -34.68 78.71 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.843 0.857 . . . . 0.0 113.161 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.78 -42.96 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 122.865 0.466 . . . . 0.0 110.953 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.34 -35.06 78.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.221 0.608 . . . . 0.0 112.326 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.34 -9.09 45.55 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -108.52 136.49 48.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.93 1.292 . . . . 0.0 110.588 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.1 m -84.4 -8.67 58.9 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -168.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -162.44 146.52 11.87 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.155 1.382 . . . . 0.0 111.463 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -143.71 156.06 44.41 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.615 1.566 . . . . 0.0 110.809 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.34 133.26 12.33 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.073 0.949 . . . . 0.0 110.827 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.1 tp -149.53 129.47 13.43 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.587 1.555 . . . . 0.0 109.129 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.2 t70 58.07 36.88 26.35 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.709 1.604 . . . . 0.0 112.621 -172.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.5 m 66.23 18.88 11.03 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.872 1.669 . . . . 0.0 113.67 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -119.0 130.49 55.71 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.047 1.739 . . . . 0.0 109.376 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.9 m -71.86 118.64 14.96 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.399 1.08 . . . . 0.0 108.69 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.1 pt -101.78 158.46 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.832 0.853 . . . . 0.0 111.123 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -131.82 82.08 61.24 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 125.291 1.436 . . . . 0.0 110.39 -173.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -87.0 140.85 5.91 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.765 2.977 . . . . 0.0 111.266 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -156.56 162.43 39.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.512 1.525 . . . . 0.0 112.172 -169.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.37 133.76 26.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.355 -0.84 . . . . 0.0 110.542 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.71 139.26 37.4 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.983 0.913 . . . . 0.0 113.268 -175.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -62.43 146.57 93.23 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 124.349 1.06 . . . . 0.0 110.277 168.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -61.89 165.28 14.47 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.16 3.24 . . . . 0.0 113.095 -174.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.72 146.62 50.97 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.886 1.274 . . . . 0.0 113.29 -168.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -144.69 100.11 3.46 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.554 1.942 . . . . 0.0 110.142 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -171.06 165.12 7.5 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.136 2.174 . . . . 0.0 110.742 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -127.31 145.15 53.29 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.942 1.297 . . . . 0.0 110.312 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.52 114.68 4.1 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 123.289 2.659 . . . . 0.0 109.83 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.815 1.646 . . . . 0.0 111.63 -172.818 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C5'-C4'-C3' 111.094 -2.937 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 1 O4'-C1'-N19 112.412 4.212 . 0.483 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 O5'-C5'-C4' 113.032 2.023 . 0.211 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 1 O4'-C1'-N19 114.832 6.632 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.308 0 O4'-C1'-N19 111.162 2.962 . 0.058 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -109.95 144.73 38.06 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.984 1.72 . . . . 0.0 113.105 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.9 mtp -140.1 137.64 34.66 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.176 1.79 . . . . 0.0 112.203 -173.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -81.72 138.32 35.24 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.894 1.677 . . . . 0.0 107.702 167.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mm -120.57 99.93 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.185 0.994 . . . . 0.0 108.941 -176.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.06 169.89 32.6 Favored Glycine 0 N--CA 1.471 0.972 0 C-N-CA 123.953 0.787 . . . . 0.0 113.106 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.45 15.48 81.19 Favored Glycine 0 CA--C 1.535 1.327 0 N-CA-C 115.303 0.881 . . . . 0.0 115.303 170.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.63 166.75 12.27 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.92 1.288 . . . . 0.0 112.411 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.2 t -79.48 151.23 30.92 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.302 0.641 . . . . 0.0 110.784 169.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -59.67 -7.38 1.51 Allowed 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 170.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -120.96 10.37 10.81 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.605 1.562 . . . . 0.0 113.127 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.1 m -67.27 142.08 57.01 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.232 0.924 . . . . 0.0 109.912 169.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.9 p -118.86 160.04 22.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.561 1.545 . . . . 0.0 110.331 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.95 -25.04 64.35 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.87 -36.57 75.59 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.981 -0.449 . . . . 0.0 110.392 168.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.92 -33.84 85.23 Favored Glycine 0 C--N 1.343 0.941 0 C-N-CA 124.468 1.032 . . . . 0.0 112.432 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.45 -50.82 71.24 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.589 1.194 . . . . 0.0 110.935 169.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.94 -39.58 74.81 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.323 0.965 . . . . 0.0 112.14 175.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.06 -34.89 74.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.966 0.906 . . . . 0.0 112.872 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -85.38 -41.46 15.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.344 1.058 . . . . 0.0 113.351 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -82.4 -19.04 39.88 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.61 -9.97 47.19 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.634 1.111 . . . . 0.0 114.317 171.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.34 -27.04 64.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.648 1.179 . . . . 0.0 112.29 170.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -101.04 -35.22 9.43 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.478 1.511 . . . . 0.0 111.382 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.51 153.0 10.5 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 125.95 1.738 . . . . 0.0 111.544 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.09 148.67 35.0 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.603 0.701 . . . . 0.0 110.7 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 m -107.04 133.53 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.52 1.128 . . . . 0.0 111.538 -170.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -78.26 -27.26 47.49 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.451 2.301 . . . . 0.0 112.364 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -163.25 145.62 10.08 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.867 2.067 . . . . 0.0 108.656 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.13 144.29 29.88 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.75 1.22 . . . . 0.0 110.324 171.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -147.37 147.3 30.15 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.401 1.48 . . . . 0.0 111.177 -172.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -133.75 125.76 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 167.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.5 mmt -85.1 51.57 2.21 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.275 1.43 . . . . 0.0 112.382 -169.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -74.18 147.18 42.82 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.302 1.441 . . . . 0.0 113.977 -173.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.74 130.86 80.53 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.268 1.427 . . . . 0.0 110.353 170.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.77 -10.6 11.72 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.484 2.123 . . . . 0.0 114.493 -173.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.78 -35.18 15.0 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.61 1.096 . . . . 0.0 111.779 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.8 p -115.78 -12.01 11.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.111 1.365 . . . . 0.0 113.425 -172.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.04 6.14 3.32 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.586 2.355 . . . . 0.0 113.441 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -58.88 123.48 16.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.09 1.756 . . . . 0.0 110.083 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.6 p -71.39 -8.62 54.99 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 64.35 5.93 2.81 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.364 1.866 . . . . 0.0 112.703 -168.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.83 15.17 79.8 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-O 118.07 -1.406 . . . . 0.0 114.51 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -156.93 162.51 39.63 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.819 1.81 . . . . 0.0 114.959 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.01 -156.54 7.94 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.721 1.629 . . . . 0.0 113.177 173.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -145.75 150.76 36.83 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.621 1.568 . . . . 0.0 110.953 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.8 t -142.53 137.97 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.844 1.258 . . . . 0.0 109.937 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.5 m -116.97 136.15 53.16 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.558 1.543 . . . . 0.0 108.156 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -96.59 153.65 17.73 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.053 0.941 . . . . 0.0 112.179 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 99.3 mmm -67.5 -14.9 63.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.841 0.856 . . . . 0.0 113.23 173.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -154.73 154.01 32.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.299 1.839 . . . . 0.0 110.665 171.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -60.58 -25.25 66.07 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.589 1.156 . . . . 0.0 112.999 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.25 -23.56 56.41 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.22 -34.71 28.84 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 118.961 0.8 . . . . 0.0 112.731 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.29 -47.49 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 117.89 0.845 . . . . 0.0 109.303 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.14 -45.29 61.6 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.203 1.001 . . . . 0.0 112.65 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -66.77 -37.7 85.12 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.13 -31.66 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.34 0.656 . . . . 0.0 111.209 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.49 -38.25 55.57 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.274 -0.891 . . . . 0.0 111.978 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.37 -16.07 62.4 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -95.01 137.65 33.78 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.76 1.224 . . . . 0.0 111.147 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.2 m -80.63 -10.49 59.73 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -169.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -162.57 147.96 12.36 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.4 1.48 . . . . 0.0 111.551 -176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.01 155.0 49.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.746 1.618 . . . . 0.0 110.551 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -152.82 131.86 12.61 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.198 0.999 . . . . 0.0 110.372 -173.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.3 tp -153.71 131.87 11.87 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.366 1.466 . . . . 0.0 109.118 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 58.5 38.73 25.47 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.476 1.51 . . . . 0.0 112.58 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.1 m 66.88 23.13 10.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.079 1.752 . . . . 0.0 113.675 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -130.81 134.68 47.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.2 1.8 . . . . 0.0 109.846 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.0 m -67.26 118.09 10.17 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.562 1.145 . . . . 0.0 108.343 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.5 pt -100.07 156.32 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.398 0.618 . . . . 0.0 110.995 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -130.09 80.39 71.02 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 125.403 1.481 . . . . 0.0 110.48 -173.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -86.4 139.83 6.11 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 123.779 2.986 . . . . 0.0 111.186 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -155.45 162.2 40.8 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.542 1.537 . . . . 0.0 111.87 -170.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.0 t -61.03 132.37 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 121.287 -0.883 . . . . 0.0 110.503 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.01 140.3 40.33 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.815 0.846 . . . . 0.0 112.054 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -57.84 126.38 76.33 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-O 118.608 -0.711 . . . . 0.0 109.76 170.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.69 140.53 29.53 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.514 2.809 . . . . 0.0 112.043 -169.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -139.73 17.71 2.51 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.805 1.642 . . . . 0.0 112.559 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -68.48 134.88 50.78 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.341 1.456 . . . . 0.0 111.481 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -147.56 161.97 40.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.438 1.895 . . . . 0.0 110.697 173.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -161.66 151.57 14.07 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.931 1.692 . . . . 0.0 110.676 -173.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.87 139.2 39.29 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.02 2.48 . . . . 0.0 110.67 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.576 1.55 . . . . 0.0 111.551 -175.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C5'-C4'-C3' 111.266 -2.822 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.466 1 O4'-C1'-N19 112.548 4.348 . 0.525 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 O5'-C5'-C4' 113.353 2.252 . 0.213 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 1 O4'-C1'-N19 114.119 5.919 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 O4'-C1'-N19 111.268 3.068 . 0.156 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.3 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 119.771 -0.157 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -145.48 147.33 32.05 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.688 -1.257 . . . . 0.0 113.109 -172.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.5 mtp -137.88 136.81 37.45 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.598 1.559 . . . . 0.0 111.946 -175.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -84.5 131.76 34.61 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 125.85 1.66 . . . . 0.0 107.505 168.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.4 HG22 HD21 ' A' ' 27' ' ' LEU . 13.0 mm -113.36 95.13 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 123.987 0.915 . . . . 0.0 108.583 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.39 165.33 27.47 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 123.959 0.79 . . . . 0.0 112.979 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.15 18.27 79.46 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.185 0.897 . . . . 0.0 114.962 172.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.4 HD21 HG22 ' A' ' 24' ' ' ILE . 81.0 mt -66.13 164.59 15.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.601 1.161 . . . . 0.0 112.641 -179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.4 t -79.32 150.97 31.31 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.179 0.592 . . . . 0.0 110.3 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -59.04 -17.49 26.02 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.924 -1.11 . . . . 0.0 113.302 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -94.81 -7.56 39.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.831 1.652 . . . . 0.0 113.138 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.3 m -67.67 139.57 56.78 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.684 1.129 . . . . 0.0 110.821 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.0 p -121.72 163.31 19.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.203 1.801 . . . . 0.0 110.172 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.53 -25.32 64.87 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.29 -37.26 77.74 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.986 -0.446 . . . . 0.0 110.339 168.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.25 -34.1 84.64 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.395 0.998 . . . . 0.0 112.456 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.93 -52.99 62.69 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 118.673 1.237 . . . . 0.0 110.809 169.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -54.88 -40.09 69.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.405 1.002 . . . . 0.0 112.365 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -59.28 -35.42 73.72 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.033 0.933 . . . . 0.0 112.934 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -88.23 -41.68 12.78 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.387 1.075 . . . . 0.0 113.243 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -83.05 -23.92 32.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.559 1.144 . . . . 0.0 113.923 -172.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 -12.66 56.59 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.586 1.088 . . . . 0.0 113.971 172.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -77.26 -20.43 55.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.759 1.223 . . . . 0.0 112.696 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -98.23 -34.17 10.82 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.94 1.296 . . . . 0.0 111.975 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.74 154.72 13.19 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 127.192 2.329 . . . . 0.0 110.544 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -64.27 138.5 58.47 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.378 1.089 . . . . 0.0 111.143 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -91.76 129.63 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.943 1.297 . . . . 0.0 110.184 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -80.01 -25.9 40.08 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.268 1.827 . . . . 0.0 112.291 173.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -162.13 147.18 12.76 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.002 1.721 . . . . 0.0 109.118 -177.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.3 p -142.92 143.51 32.04 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.585 1.154 . . . . 0.0 110.386 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.7 mt -145.95 143.75 29.71 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.074 1.35 . . . . 0.0 111.322 -174.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.1 t -134.13 129.72 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.464 1.506 . . . . 0.0 107.646 168.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.3 mmt -91.83 42.49 1.1 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.17 1.388 . . . . 0.0 112.577 -169.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -63.24 145.89 54.58 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -173.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -79.87 128.57 73.67 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 124.156 0.982 . . . . 0.0 110.561 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.0 -14.06 21.23 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 122.707 2.271 . . . . 0.0 113.523 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.98 -26.48 48.68 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.238 1.015 . . . . 0.0 113.022 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 p -135.35 -11.21 2.17 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.252 1.421 . . . . 0.0 113.764 -170.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 64.29 4.44 2.15 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.943 2.497 . . . . 0.0 113.997 -176.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -61.34 131.19 49.5 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.242 1.017 . . . . 0.0 110.577 171.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.2 p -67.19 -9.22 37.99 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.961 1.704 . . . . 0.0 114.717 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 67.4 6.4 4.87 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.816 2.046 . . . . 0.0 112.567 -168.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.86 16.09 81.06 Favored Glycine 0 C--N 1.341 0.812 0 CA-C-O 118.144 -1.365 . . . . 0.0 113.955 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -155.31 161.14 41.17 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.601 1.701 . . . . 0.0 115.404 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.23 -157.03 8.32 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 125.39 1.471 . . . . 0.0 112.894 169.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -144.69 148.94 34.82 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.346 1.458 . . . . 0.0 111.119 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.44 129.66 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.926 0.89 . . . . 0.0 109.968 172.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.4 m -105.46 139.9 39.39 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.7 1.6 . . . . 0.0 107.635 170.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -107.5 151.81 25.07 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.973 1.309 . . . . 0.0 111.367 -178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 52.6 mtp -73.98 -6.98 50.66 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.168 0.987 . . . . 0.0 113.414 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -156.74 154.42 29.97 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.111 2.165 . . . . 0.0 111.388 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -76.67 -22.57 53.84 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.795 -0.566 . . . . 0.0 112.105 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.17 -25.16 68.22 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.32 -35.82 22.37 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-N 119.823 1.192 . . . . 0.0 112.644 170.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.0 t -59.41 -46.72 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 117.96 0.88 . . . . 0.0 109.452 172.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -51.99 -47.76 64.74 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.078 1.351 . . . . 0.0 112.793 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -65.55 -35.87 82.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.84 -27.37 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.059 0.544 . . . . 0.0 111.276 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.0 mt -80.23 -38.7 30.52 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.063 -1.023 . . . . 0.0 111.733 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.4 -25.97 61.69 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -175.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -84.92 138.27 32.61 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.394 1.078 . . . . 0.0 111.435 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -82.79 -4.14 57.58 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -169.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -161.96 144.99 11.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.586 1.554 . . . . 0.0 111.157 -175.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -139.29 149.37 44.19 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.1 1.36 . . . . 0.0 110.937 173.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -153.31 130.73 11.35 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.964 0.906 . . . . 0.0 110.834 -171.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.6 tp -151.82 133.55 14.82 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.795 1.638 . . . . 0.0 108.855 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.8 t70 59.45 29.45 19.01 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.381 1.473 . . . . 0.0 112.46 -171.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 m 65.42 19.44 11.59 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.283 1.833 . . . . 0.0 113.827 -175.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -114.28 139.25 49.57 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.626 1.57 . . . . 0.0 109.806 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.2 m -72.83 117.94 15.16 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.5 pt -103.22 154.27 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.392 0.677 . . . . 0.0 111.18 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -128.79 67.4 77.34 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 125.171 1.388 . . . . 0.0 111.786 -171.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.2 146.24 28.3 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 124.096 3.197 . . . . 0.0 111.786 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -157.35 163.66 38.4 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.277 1.431 . . . . 0.0 112.428 -171.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.0 t -59.63 133.05 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 124.222 1.009 . . . . 0.0 110.717 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.06 144.2 27.68 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -176.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -60.54 145.84 86.43 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.208 1.003 . . . . 0.0 109.992 167.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.13 141.65 44.26 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.005 2.47 . . . . 0.0 111.488 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.57 141.69 46.64 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.262 1.025 . . . . 0.0 111.346 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -62.55 143.1 57.61 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.406 1.082 . . . . 0.0 111.542 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.95 140.41 57.77 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.617 0.767 . . . . 0.0 110.188 168.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -144.91 149.52 42.89 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.363 1.465 . . . . 0.0 110.218 -169.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -77.9 147.63 24.38 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.626 2.884 . . . . 0.0 111.731 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.273 2.229 . . . . 0.0 112.433 175.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C4'-C3' 108.914 2.439 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.201 0 O4'-C1'-N19 111.651 3.451 . 0.029 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.516 0 O5'-C5'-C4' 114.033 2.738 . 0.239 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.386 1 O4'-C1'-N19 113.45 5.25 . 0.579 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 O4'-C1'-N19 111.591 3.391 . 0.135 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 119.846 -0.121 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -147.01 148.88 32.14 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.849 -1.157 . . . . 0.0 114.098 -171.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 71.1 mtp -139.2 137.77 36.3 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.864 1.665 . . . . 0.0 112.494 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -81.68 140.03 34.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.818 1.647 . . . . 0.0 107.399 167.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.1 mm -122.68 99.1 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.96 0.904 . . . . 0.0 109.103 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.54 168.92 32.34 Favored Glycine 0 N--CA 1.47 0.954 0 C-N-CA 124.055 0.836 . . . . 0.0 112.883 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.01 16.21 80.84 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 171.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.19 162.25 20.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.785 1.234 . . . . 0.0 112.558 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.9 t -76.91 147.96 36.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.094 0.958 . . . . 0.0 110.954 169.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -59.23 -16.18 19.56 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -109.64 9.93 24.99 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.561 1.544 . . . . 0.0 113.048 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.5 m -65.82 141.94 58.11 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.124 0.969 . . . . 0.0 110.09 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.5 p -118.57 160.21 22.19 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.257 1.423 . . . . 0.0 109.968 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -69.38 -22.95 63.68 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.0 -35.94 72.27 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 122.849 0.459 . . . . 0.0 110.351 167.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.44 -34.11 78.75 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.532 1.063 . . . . 0.0 112.453 172.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.91 -50.62 71.42 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 118.701 1.251 . . . . 0.0 110.49 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -55.23 -39.84 70.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.315 0.961 . . . . 0.0 112.27 175.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -61.02 -35.68 77.51 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.169 0.987 . . . . 0.0 112.909 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -86.5 -35.97 19.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.701 1.2 . . . . 0.0 113.527 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -88.89 -14.14 37.51 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -173.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.34 -10.12 46.51 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.469 1.033 . . . . 0.0 114.045 169.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -71.02 -25.62 62.75 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.826 1.251 . . . . 0.0 112.49 172.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -105.83 -28.98 10.31 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.678 1.191 . . . . 0.0 112.877 -172.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.83 165.78 32.83 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 125.282 1.42 . . . . 0.0 112.435 176.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.54 124.81 24.61 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 122.274 -0.545 . . . . 0.0 109.909 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -85.74 147.35 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.499 0.72 . . . . 0.0 111.292 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -103.27 -16.28 15.72 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.672 1.989 . . . . 0.0 113.775 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -147.37 -85.02 0.1 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.947 0.899 . . . . 0.0 112.407 -170.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.3 m 70.22 130.37 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 128.385 2.674 . . . . 0.0 112.577 -169.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.7 mt -147.94 145.47 28.6 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.531 1.532 . . . . 0.0 111.108 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.93 126.74 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 168.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.5 mmt -86.06 49.11 1.72 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.271 1.428 . . . . 0.0 112.299 -170.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -71.57 148.47 46.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.274 1.43 . . . . 0.0 113.516 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -84.14 126.64 69.39 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 124.527 1.131 . . . . 0.0 110.163 172.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.97 -13.96 21.33 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.596 2.197 . . . . 0.0 113.757 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.33 -25.65 51.33 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.98 . . . . 0.0 113.037 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.6 p -135.97 -10.99 2.01 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.413 1.485 . . . . 0.0 113.716 -170.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.51 6.53 2.58 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.822 2.449 . . . . 0.0 113.677 -175.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -58.97 128.99 40.0 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.985 1.314 . . . . 0.0 110.562 171.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -74.31 -7.36 52.53 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.95 1.3 . . . . 0.0 114.436 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 63.23 5.07 1.82 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.261 1.824 . . . . 0.0 112.758 -168.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.63 15.88 80.83 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-O 118.228 -1.318 . . . . 0.0 114.349 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -157.02 161.53 39.54 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.66 1.73 . . . . 0.0 114.747 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.4 -154.21 6.99 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.679 1.609 . . . . 0.0 112.827 173.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -147.13 151.44 36.82 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.777 1.631 . . . . 0.0 111.087 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.1 t -140.36 131.31 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.491 1.116 . . . . 0.0 110.063 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -111.39 143.67 41.84 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.837 2.055 . . . . 0.0 107.464 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -115.57 153.75 30.64 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.584 1.154 . . . . 0.0 112.004 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.8 mmt -68.7 -14.63 63.15 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.203 1.001 . . . . 0.0 113.494 174.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -155.33 154.56 32.24 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.238 1.815 . . . . 0.0 110.55 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -62.8 -25.21 68.12 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.387 1.075 . . . . 0.0 112.544 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.1 -19.67 54.47 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.82 -23.9 31.71 Favored Glycine 0 CA--C 1.53 1.021 0 CA-C-N 119.705 1.139 . . . . 0.0 113.51 170.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.4 t -67.83 -45.61 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 118.434 1.117 . . . . 0.0 108.535 169.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.4 -47.98 62.76 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.417 1.487 . . . . 0.0 112.929 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -65.21 -35.51 81.27 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.35 -29.94 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.219 0.607 . . . . 0.0 111.306 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.6 mt -77.9 -38.2 46.26 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 121.45 -0.781 . . . . 0.0 111.901 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.31 -21.47 62.06 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -90.21 138.66 31.34 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.999 1.32 . . . . 0.0 110.996 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.2 m -84.43 -12.0 55.18 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.888 1.811 . . . . 0.0 115.888 -169.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -163.18 147.07 10.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.032 1.333 . . . . 0.0 111.807 -174.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -143.07 151.86 41.23 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.971 1.708 . . . . 0.0 109.877 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -151.71 127.8 10.43 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.231 -0.918 . . . . 0.0 110.635 -174.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.66 125.23 15.78 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.273 1.429 . . . . 0.0 109.305 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.9 t70 58.34 42.1 22.06 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.005 1.722 . . . . 0.0 112.652 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 m 67.23 20.41 10.16 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.913 1.685 . . . . 0.0 113.888 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -125.19 127.91 47.53 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.21 1.804 . . . . 0.0 109.064 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.1 m -71.5 120.84 17.65 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.8 pt -99.94 158.49 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 123.832 0.853 . . . . 0.0 110.892 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -130.91 82.89 62.81 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.483 1.513 . . . . 0.0 110.044 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -83.52 143.93 11.15 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.342 2.695 . . . . 0.0 111.471 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -141.61 159.43 42.23 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.675 1.99 . . . . 0.0 110.888 -169.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.52 132.05 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 121.076 -1.015 . . . . 0.0 109.402 170.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.63 140.34 38.44 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.563 0.745 . . . . 0.0 112.894 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -63.1 158.46 55.04 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.282 1.033 . . . . 0.0 111.301 169.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -53.23 164.26 1.94 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 124.61 3.54 . . . . 0.0 115.271 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -138.64 165.08 27.84 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.888 1.275 . . . . 0.0 113.733 -172.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -141.56 127.96 19.98 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.233 1.813 . . . . 0.0 109.958 175.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -155.94 140.49 16.88 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.803 2.041 . . . . 0.0 109.05 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -161.94 138.58 6.15 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.303 1.041 . . . . 0.0 110.107 -169.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.89 131.6 17.2 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.492 2.794 . . . . 0.0 110.448 174.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.79 1.636 . . . . 0.0 111.692 -176.071 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 0 C5'-C4'-C3' 111.172 -2.885 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.425 1 O4'-C1'-N19 112.65 4.45 . 0.533 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.527 0 O5'-C5'-C4' 113.339 2.242 . 0.216 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 1 O4'-C1'-N19 113.964 5.764 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.302 1 O4'-C1'-N19 112.428 4.228 . 0.0 OUTLIER '7D dist 1z' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.7 m . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 119.779 -0.153 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -147.38 147.34 30.19 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.913 -1.117 . . . . 0.0 113.562 -174.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.6 mtp -138.16 134.56 34.7 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.657 1.583 . . . . 0.0 111.945 -173.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -82.33 134.89 35.28 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.838 1.655 . . . . 0.0 107.171 168.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.2 mm -116.1 98.59 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.122 0.969 . . . . 0.0 108.488 -173.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.28 166.01 30.49 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.868 0.747 . . . . 0.0 112.968 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.52 16.55 78.95 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-O 119.041 -0.866 . . . . 0.0 114.98 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.33 163.86 6.11 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.612 1.206 . . . . 0.0 112.358 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.4 t -78.55 151.78 32.26 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.974 0.509 . . . . 0.0 110.723 169.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -61.27 -14.81 29.16 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.008 -1.057 . . . . 0.0 113.38 169.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -102.4 1.19 35.06 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.368 1.467 . . . . 0.0 113.418 176.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 m -71.53 139.66 49.58 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.666 1.121 . . . . 0.0 110.114 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 p -119.74 162.43 19.06 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.915 1.686 . . . . 0.0 110.238 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.25 -22.97 63.8 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.7 -36.56 70.6 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.824 0.45 . . . . 0.0 110.279 168.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.43 -34.07 83.67 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.444 1.021 . . . . 0.0 112.418 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.8 -52.71 63.94 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.6 1.2 . . . . 0.0 110.551 169.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -55.15 -39.44 69.47 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.259 0.936 . . . . 0.0 112.409 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.67 -34.85 74.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.214 1.005 . . . . 0.0 112.979 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -88.28 -38.78 14.92 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.576 1.15 . . . . 0.0 113.289 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -85.29 -15.38 43.59 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -172.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.25 -8.92 46.76 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.614 1.102 . . . . 0.0 114.416 170.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.59 -26.8 60.16 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.726 1.211 . . . . 0.0 112.562 174.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.73 -36.39 9.13 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.293 1.037 . . . . 0.0 112.527 -171.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.72 173.64 44.53 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 126.392 1.949 . . . . 0.0 111.568 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -79.35 120.47 23.83 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 117.781 0.79 . . . . 0.0 109.747 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 m -78.81 145.21 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-O 121.239 0.543 . . . . 0.0 111.36 -177.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -103.77 -29.35 11.09 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.014 1.726 . . . . 0.0 113.397 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -168.16 102.51 0.45 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.364 1.465 . . . . 0.0 109.147 -169.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 59.8 m -101.8 141.45 34.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.449 1.5 . . . . 0.0 110.117 174.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -144.67 147.28 32.86 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.574 1.15 . . . . 0.0 112.116 -177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.9 t -132.7 129.96 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.446 1.498 . . . . 0.0 107.911 168.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.2 mmt -93.96 45.66 1.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.27 1.428 . . . . 0.0 112.261 -169.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 -64.34 151.56 43.59 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -173.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -75.07 136.03 73.22 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.303 1.441 . . . . 0.0 109.934 170.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -83.01 -14.02 8.82 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.574 2.182 . . . . 0.0 113.912 -175.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.5 mt -93.1 -44.66 8.27 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.889 1.276 . . . . 0.0 111.212 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.7 p -101.3 -11.56 19.37 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.415 1.086 . . . . 0.0 112.844 -175.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 mptt 66.89 -1.45 1.37 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.97 2.508 . . . . 0.0 113.712 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.72 133.19 55.87 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.637 1.575 . . . . 0.0 110.499 174.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.0 p -66.07 -6.39 12.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.538 1.535 . . . . 0.0 114.59 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 63.76 7.17 3.03 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.489 1.916 . . . . 0.0 112.225 -168.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.72 17.06 79.34 Favored Glycine 0 C--N 1.341 0.826 0 CA-C-O 118.04 -1.422 . . . . 0.0 114.241 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -157.08 162.23 39.46 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.8 1.8 . . . . 0.0 115.07 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.47 -155.05 7.34 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 125.587 1.565 . . . . 0.0 112.664 171.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -144.89 150.71 37.52 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.455 1.502 . . . . 0.0 110.914 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.4 t -139.63 128.41 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.364 1.066 . . . . 0.0 110.209 170.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.5 m -105.38 146.86 28.87 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.415 1.886 . . . . 0.0 108.102 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -117.61 152.5 35.04 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.657 1.183 . . . . 0.0 111.441 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.83 -8.05 49.8 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.166 1.386 . . . . 0.0 113.024 169.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -156.32 149.51 24.33 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.693 1.997 . . . . 0.0 111.579 -170.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -76.54 -22.65 54.07 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 121.814 -0.554 . . . . 0.0 112.202 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.87 -25.59 68.37 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.66 -36.68 22.18 Favored Glycine 0 N--CA 1.469 0.871 0 CA-C-N 119.726 1.148 . . . . 0.0 112.655 171.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -59.1 -46.41 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 117.735 0.767 . . . . 0.0 109.495 172.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.37 -47.66 66.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.959 1.304 . . . . 0.0 112.935 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -65.8 -35.68 81.37 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.22 -29.15 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.072 0.549 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.7 mt -78.63 -38.31 40.03 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.238 -0.914 . . . . 0.0 111.8 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.08 -26.09 62.02 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -81.36 142.93 32.56 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.576 1.15 . . . . 0.0 111.66 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.0 p -79.36 -25.02 42.32 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -170.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.4 ttp-105 -155.99 150.45 25.81 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.248 1.419 . . . . 0.0 111.676 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -136.12 152.99 51.41 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.621 1.569 . . . . 0.0 110.51 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -156.8 130.15 8.03 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.505 -0.747 . . . . 0.0 111.036 -169.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.0 tp -152.67 132.72 13.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.958 1.703 . . . . 0.0 108.688 -173.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.6 t70 59.62 29.8 19.38 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.254 1.422 . . . . 0.0 112.301 -170.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 63.98 19.66 11.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.283 1.833 . . . . 0.0 113.559 -174.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -116.19 136.34 53.1 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.921 1.688 . . . . 0.0 109.516 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.7 m -79.08 118.53 21.14 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.927 0.891 . . . . 0.0 109.172 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 21.2 pt -104.55 153.6 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.835 0.854 . . . . 0.0 111.129 -176.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -130.08 75.5 79.31 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 125.634 1.574 . . . . 0.0 110.916 -171.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -81.72 149.37 16.19 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.831 3.021 . . . . 0.0 112.16 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -159.64 164.19 34.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.976 1.711 . . . . 0.0 111.876 -169.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.75 134.54 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 O-C-N 121.214 -0.929 . . . . 0.0 110.882 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.14 147.99 23.26 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -64.41 143.25 98.49 Favored Pre-proline 0 CA--C 1.551 0.983 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 165.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -62.7 154.13 67.61 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.431 2.754 . . . . 0.0 113.734 -168.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -83.0 169.91 15.47 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.86 1.264 . . . . 0.0 111.63 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -64.6 135.38 55.9 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.443 -0.786 . . . . 0.0 111.265 173.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -165.51 167.23 17.69 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.3 1.84 . . . . 0.0 111.175 -175.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -142.99 145.21 32.22 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 125.6 1.56 . . . . 0.0 109.773 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.05 166.6 27.42 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.987 3.125 . . . . 0.0 112.964 -174.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm . . . . . 0 C--O 1.254 1.301 0 C-N-CA 126.376 1.87 . . . . 0.0 111.683 -174.308 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 C5'-C4'-C3' 111.162 -2.892 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.154 0 O4'-C1'-N19 111.958 3.758 . 0.32 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 O5'-C5'-C4' 113.231 2.165 . 0.226 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 1 O4'-C1'-N19 113.794 5.594 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 1 O4'-C1'-N19 113.048 4.848 . 0.0 OUTLIER '7D dist 1o' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 N--CA 1.485 1.311 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.1 tttt 87.28 137.65 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 129.445 3.098 . . . . 0.0 114.385 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.9 mtp -140.44 137.27 33.81 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 126.283 1.833 . . . . 0.0 111.77 -174.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -83.18 135.46 34.78 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.937 1.695 . . . . 0.0 107.318 167.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.3 mm -115.82 98.28 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.203 1.001 . . . . 0.0 108.712 -173.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.28 160.54 22.94 Favored Glycine 0 N--CA 1.471 0.975 0 C-N-CA 124.108 0.861 . . . . 0.0 113.623 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.63 15.46 79.53 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.446 1.022 . . . . 0.0 115.105 173.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.97 163.5 7.71 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.115 1.366 . . . . 0.0 112.485 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 t -79.86 152.01 29.89 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.589 -0.695 . . . . 0.0 110.672 169.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -61.9 -12.51 18.26 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.813 -1.179 . . . . 0.0 113.443 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -88.01 -14.6 38.64 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.913 1.685 . . . . 0.0 113.233 173.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.6 m -72.26 141.29 48.93 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.38 0.991 . . . . 0.0 112.007 -169.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.2 p -117.55 160.36 21.37 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.553 1.941 . . . . 0.0 110.715 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -70.42 -27.45 64.28 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.481 0.713 . . . . 0.0 112.719 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.54 -37.54 87.02 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.716 0.807 . . . . 0.0 110.412 168.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.65 -34.43 78.4 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.611 1.101 . . . . 0.0 112.547 173.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.43 -51.42 68.8 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.659 1.23 . . . . 0.0 110.383 169.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -56.1 -37.86 69.95 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.814 0.733 . . . . 0.0 112.528 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -59.75 -35.77 75.27 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.881 0.872 . . . . 0.0 112.91 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -88.57 -41.32 12.75 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.893 1.277 . . . . 0.0 113.088 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -81.64 -22.23 37.7 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.406 1.082 . . . . 0.0 113.482 -175.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.18 -13.96 55.1 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.978 1.275 . . . . 0.0 114.147 171.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -78.72 -19.44 52.39 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.646 1.178 . . . . 0.0 112.656 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -98.46 -35.66 10.19 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.444 1.498 . . . . 0.0 111.446 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.84 156.63 21.02 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.146 1.355 . . . . 0.0 112.138 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.72 130.81 47.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.441 0.621 . . . . 0.0 110.338 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 m -90.64 135.26 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.649 0.737 . . . . 0.0 111.194 -175.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -80.11 -27.07 39.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.618 1.967 . . . . 0.0 112.722 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -167.07 141.76 3.95 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.684 1.994 . . . . 0.0 108.122 -171.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.9 p -141.63 144.46 34.18 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.898 1.279 . . . . 0.0 109.878 171.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.2 mt -146.76 146.31 30.24 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.806 1.242 . . . . 0.0 111.453 -172.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.23 128.24 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.279 1.432 . . . . 0.0 107.428 167.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.2 mmt -89.73 46.4 1.36 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.015 1.326 . . . . 0.0 112.269 -169.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -66.12 146.81 54.22 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -173.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -72.41 131.24 84.99 Favored Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 125.091 1.356 . . . . 0.0 110.009 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -79.89 -13.19 13.08 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.452 2.102 . . . . 0.0 113.943 -173.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.3 mt -90.08 -38.89 13.25 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.306 0.957 . . . . 0.0 111.688 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.3 p -112.87 -9.85 13.61 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.518 1.527 . . . . 0.0 113.527 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 67.23 0.2 1.99 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.925 2.49 . . . . 0.0 113.886 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -58.5 130.07 45.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.983 1.713 . . . . 0.0 110.589 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.4 p -66.93 -7.77 24.53 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.286 1.435 . . . . 0.0 114.684 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 64.16 7.1 3.25 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.309 1.844 . . . . 0.0 112.315 -168.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.97 17.41 78.49 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-O 118.079 -1.401 . . . . 0.0 114.329 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.26 162.63 39.21 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.811 1.806 . . . . 0.0 115.152 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.06 -156.06 7.66 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 125.444 1.497 . . . . 0.0 112.987 171.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -145.78 150.7 36.69 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.519 1.528 . . . . 0.0 111.07 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.1 t -142.19 135.56 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.513 1.125 . . . . 0.0 110.049 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.3 m -117.73 141.89 47.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.296 1.838 . . . . 0.0 108.398 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.72 155.24 19.89 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.465 1.106 . . . . 0.0 112.251 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.5 mmt -69.33 -15.14 63.27 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.218 1.007 . . . . 0.0 113.417 171.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -155.99 153.93 30.3 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.128 1.771 . . . . 0.0 110.832 174.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -59.99 -26.06 65.74 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.679 1.191 . . . . 0.0 113.099 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.49 -23.73 58.66 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.84 -30.83 31.0 Favored Glycine 0 N--CA 1.469 0.897 0 CA-C-N 119.111 0.869 . . . . 0.0 113.19 172.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.96 -47.02 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.105 0.952 . . . . 0.0 109.125 172.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -51.65 -45.14 63.23 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.656 1.182 . . . . 0.0 112.685 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -66.16 -38.83 89.05 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.74 -29.21 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.001 0.52 . . . . 0.0 111.15 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.5 -39.02 39.36 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.261 -0.899 . . . . 0.0 112.027 173.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.21 -25.73 63.55 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -85.43 134.52 34.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.562 1.145 . . . . 0.0 110.646 175.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -81.0 -12.09 59.44 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -169.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -161.23 146.88 14.16 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.206 1.403 . . . . 0.0 111.682 -172.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -141.71 153.85 44.91 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.418 1.487 . . . . 0.0 110.921 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -153.24 129.6 10.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.784 1.234 . . . . 0.0 109.843 -173.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.2 tp -155.09 133.28 11.68 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.796 1.638 . . . . 0.0 108.986 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.5 t0 61.24 38.66 16.46 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.871 1.269 . . . . 0.0 112.63 172.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 m 68.99 26.58 5.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.674 1.99 . . . . 0.0 114.137 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -139.6 138.29 36.07 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.008 1.323 . . . . 0.0 110.379 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.8 m -74.88 122.57 23.6 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 170.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 41.6 pt -108.16 154.02 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.856 0.862 . . . . 0.0 111.412 -174.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -128.25 68.29 76.55 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.502 1.521 . . . . 0.0 111.257 -171.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.24 146.78 36.53 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.831 3.02 . . . . 0.0 111.682 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -157.02 163.57 38.93 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.659 1.583 . . . . 0.0 112.044 -169.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.58 134.13 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 123.848 0.859 . . . . 0.0 110.602 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.15 142.91 31.82 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -176.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -64.88 162.0 41.43 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 124.731 1.212 . . . . 0.0 111.061 168.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -51.62 158.99 3.69 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.538 3.492 . . . . 0.0 115.18 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -130.75 165.8 22.14 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 124.977 1.311 . . . . 0.0 113.696 -169.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -69.6 125.88 28.06 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.859 0.864 . . . . 0.0 109.82 168.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -166.85 169.74 12.94 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.426 1.891 . . . . 0.0 111.102 -174.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -71.7 135.32 83.51 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 123.639 0.776 . . . . 0.0 110.28 174.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.68 108.74 2.77 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.537 2.825 . . . . 0.0 110.792 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.821 2.048 . . . . 0.0 111.294 -178.339 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.413 0 O4'-C4'-C3' 108.428 2.091 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.249 1 O4'-C1'-N19 112.309 4.109 . 0.58 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 O5'-C5'-C4' 113.296 2.211 . 0.233 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.32 1 O4'-C1'-N19 113.378 5.178 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.42 0 O4'-C1'-N19 111.784 3.584 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.2 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 119.672 -0.204 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -145.51 147.14 31.82 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.75 -1.218 . . . . 0.0 113.833 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtp -138.56 137.04 36.65 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.79 1.636 . . . . 0.0 112.271 -174.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -83.68 134.63 34.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.032 1.733 . . . . 0.0 107.212 167.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 mm -114.78 96.29 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.132 0.973 . . . . 0.0 108.623 -173.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.15 163.75 30.56 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 123.885 0.755 . . . . 0.0 113.113 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.74 19.17 79.71 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.196 0.903 . . . . 0.0 115.019 172.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.9 mt -62.68 163.92 8.48 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.425 1.112 . . . . 0.0 112.275 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 t -75.75 150.29 37.82 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.895 -0.503 . . . . 0.0 110.413 169.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -58.69 -16.75 17.79 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -112.22 7.62 19.52 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.044 1.738 . . . . 0.0 113.953 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.1 m -65.17 140.54 58.78 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.607 1.094 . . . . 0.0 109.905 173.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.2 p -115.41 159.67 20.84 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.532 1.533 . . . . 0.0 110.806 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -70.32 -23.66 62.87 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.57 -37.81 74.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.587 0.355 . . . . 0.0 110.19 167.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.06 -32.39 82.3 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.61 1.1 . . . . 0.0 112.662 173.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.47 -52.47 64.41 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.634 1.217 . . . . 0.0 110.99 169.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.52 -39.74 73.85 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.466 1.03 . . . . 0.0 112.135 176.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.13 -34.21 71.79 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.162 0.985 . . . . 0.0 113.119 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -88.02 -41.1 13.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.398 1.079 . . . . 0.0 113.449 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.69 -18.55 40.52 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -172.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.91 -11.49 50.89 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.636 1.113 . . . . 0.0 114.375 171.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -71.27 -27.11 63.21 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.56 1.144 . . . . 0.0 112.32 172.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -100.01 -34.66 9.99 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.994 1.318 . . . . 0.0 111.64 -176.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.74 153.44 11.5 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.095 1.807 . . . . 0.0 111.544 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.52 147.32 51.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 117.865 0.833 . . . . 0.0 110.841 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.44 HG21 ' SG ' ' A' ' 49' ' ' CYS . 14.7 m -106.84 137.4 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.683 1.193 . . . . 0.0 111.659 -169.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -85.09 -23.13 28.65 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.077 2.151 . . . . 0.0 112.75 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -168.47 140.34 2.78 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.237 2.215 . . . . 0.0 107.905 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' SG ' HG21 ' A' ' 46' ' ' VAL . 11.0 m -140.29 136.62 33.45 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.727 1.611 . . . . 0.0 109.038 175.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.1 mt -145.04 144.26 30.9 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.272 1.029 . . . . 0.0 111.918 -171.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -132.12 129.2 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.376 1.471 . . . . 0.0 107.518 168.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.4 mmt -90.26 44.9 1.23 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.009 1.323 . . . . 0.0 112.302 -169.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -66.2 148.91 51.13 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -172.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.6 130.3 85.85 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.063 1.345 . . . . 0.0 110.084 170.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.51 -12.42 13.9 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.421 2.08 . . . . 0.0 114.316 -172.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.3 mp -88.01 -43.69 11.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.513 1.051 . . . . 0.0 111.09 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.2 p -106.77 -12.29 15.55 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.167 1.387 . . . . 0.0 113.318 -171.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 66.42 3.13 2.7 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.886 2.474 . . . . 0.0 113.404 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -55.95 124.05 16.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.177 1.791 . . . . 0.0 110.665 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.2 p -65.5 -8.57 20.08 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 64.79 5.45 2.83 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.501 1.92 . . . . 0.0 112.458 -168.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.12 16.81 77.99 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-O 118.131 -1.372 . . . . 0.0 114.235 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -157.7 163.08 38.54 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.79 1.795 . . . . 0.0 115.151 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.0 -155.37 7.43 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.496 1.522 . . . . 0.0 112.95 170.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -146.96 149.21 32.74 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.527 1.531 . . . . 0.0 111.33 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.1 t -141.35 130.12 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.516 1.126 . . . . 0.0 110.154 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.9 m -109.42 137.64 46.97 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.134 1.773 . . . . 0.0 107.65 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -105.42 154.4 20.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.076 0.95 . . . . 0.0 111.879 -176.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.9 mmt -70.95 -8.35 52.49 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.534 1.134 . . . . 0.0 113.313 171.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -160.88 158.75 28.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.958 2.103 . . . . 0.0 111.642 -174.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -78.72 -22.52 46.45 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.86 -0.525 . . . . 0.0 112.412 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.06 71.55 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.95 -39.99 58.03 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 119.207 0.912 . . . . 0.0 112.594 171.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.03 -48.45 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 117.72 0.76 . . . . 0.0 109.77 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -53.74 -44.79 70.24 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.594 1.158 . . . . 0.0 112.604 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -67.57 -35.39 78.92 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.2 t -70.65 -28.79 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.016 0.526 . . . . 0.0 111.117 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.9 mt -79.06 -38.87 35.32 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.177 -0.952 . . . . 0.0 111.723 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.83 -25.41 61.97 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -85.7 138.58 32.02 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.424 1.09 . . . . 0.0 111.461 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.6 m -82.59 -4.87 58.33 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -169.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -162.08 144.62 11.46 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.557 1.543 . . . . 0.0 111.224 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -139.56 150.53 45.17 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.249 1.42 . . . . 0.0 110.574 173.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -153.0 130.27 11.26 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.778 0.831 . . . . 0.0 111.102 -171.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -150.88 132.96 15.26 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.744 1.618 . . . . 0.0 108.941 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.8 t70 58.25 30.76 19.95 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.362 1.465 . . . . 0.0 112.397 -169.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.2 m 65.96 16.39 10.45 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.34 1.856 . . . . 0.0 113.63 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -111.3 138.45 47.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.726 1.61 . . . . 0.0 109.731 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.7 m -74.14 117.58 16.1 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.2 pt -103.66 151.57 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.355 0.662 . . . . 0.0 111.149 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -127.7 70.2 76.81 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 125.554 1.542 . . . . 0.0 111.301 -172.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -76.98 149.23 28.68 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.974 3.116 . . . . 0.0 112.082 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -159.48 164.85 34.11 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.847 1.659 . . . . 0.0 111.869 -169.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.74 134.89 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.256 -0.903 . . . . 0.0 110.86 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.81 142.19 30.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.067 0.947 . . . . 0.0 113.202 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -64.77 158.12 70.8 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 124.211 1.004 . . . . 0.0 110.784 168.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -51.67 160.07 2.98 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 124.685 3.59 . . . . 0.0 115.443 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.57 147.87 40.09 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.696 1.198 . . . . 0.0 113.814 -170.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.37 129.48 41.4 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.566 1.546 . . . . 0.0 111.518 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -167.84 158.84 11.1 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.244 2.217 . . . . 0.0 110.379 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -145.09 147.23 33.75 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 125.284 1.434 . . . . 0.0 110.284 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.18 144.87 34.07 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.534 2.823 . . . . 0.0 111.252 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.34 1.856 . . . . 0.0 112.683 -177.89 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 O4'-C1'-N19 110.724 2.524 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.151 0 O4'-C1'-N19 111.729 3.529 . 0.067 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O5'-C5'-C4' 113.286 2.204 . 0.233 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 1 O4'-C1'-N19 113.426 5.226 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 O4'-C1'-N19 111.705 3.505 . 0.161 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.2 tttt 97.76 138.37 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 129.985 3.314 . . . . 0.0 114.544 172.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.4 mtp -138.6 135.68 35.21 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 126.386 1.874 . . . . 0.0 111.678 -175.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -81.38 131.1 35.27 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.928 1.691 . . . . 0.0 106.442 168.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.5 mm -111.12 95.21 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -172.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.52 167.14 32.21 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.973 0.797 . . . . 0.0 113.02 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.54 14.38 79.62 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.233 0.921 . . . . 0.0 114.988 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.56 162.4 10.49 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.528 1.164 . . . . 0.0 112.219 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.1 t -77.44 147.48 35.94 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.411 168.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -58.34 -14.63 7.89 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 176.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -105.31 7.46 33.41 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.633 1.573 . . . . 0.0 112.926 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.9 m -69.94 145.49 51.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.414 1.086 . . . . 0.0 110.919 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.6 p -121.51 159.09 27.03 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.731 1.613 . . . . 0.0 110.581 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.02 -27.75 68.35 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.33 -36.73 74.45 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.861 -0.524 . . . . 0.0 110.844 169.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.04 -33.13 84.56 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.352 0.977 . . . . 0.0 112.297 173.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 mt -62.27 -51.95 65.68 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.365 1.083 . . . . 0.0 110.895 169.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -56.68 -39.28 73.51 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.334 0.97 . . . . 0.0 112.185 176.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -58.61 -33.39 69.96 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.279 1.031 . . . . 0.0 113.042 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -89.7 -41.33 11.98 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.354 1.062 . . . . 0.0 113.379 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -81.79 -19.05 42.03 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -172.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.52 -10.76 50.65 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.691 1.139 . . . . 0.0 114.371 172.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -71.23 -26.02 62.74 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.553 1.141 . . . . 0.0 112.38 172.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -101.44 -38.73 7.88 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.223 1.409 . . . . 0.0 111.439 -176.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.32 154.04 14.82 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 126.329 1.919 . . . . 0.0 111.051 173.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.98 145.29 56.12 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.269 1.035 . . . . 0.0 110.882 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.8 m -99.11 131.38 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 124.13 0.972 . . . . 0.0 110.772 -173.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -79.95 -23.39 41.7 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.619 1.968 . . . . 0.0 112.526 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -170.93 140.49 1.59 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.458 2.303 . . . . 0.0 107.468 -172.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -146.08 145.3 30.5 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.675 1.19 . . . . 0.0 110.202 176.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.1 mt -149.72 152.03 34.63 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.683 1.193 . . . . 0.0 111.13 -169.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -134.53 126.73 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.838 1.655 . . . . 0.0 106.72 169.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.3 mmt -95.46 42.59 1.09 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.204 1.402 . . . . 0.0 112.607 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -59.78 153.32 20.85 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.26 1.424 . . . . 0.0 114.415 -172.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.5 129.22 92.81 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.788 1.235 . . . . 0.0 109.987 169.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -79.46 -12.03 14.13 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.389 2.059 . . . . 0.0 114.202 -172.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.09 -42.46 12.36 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.543 1.065 . . . . 0.0 111.193 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.5 p -108.25 -11.62 15.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.896 1.279 . . . . 0.0 113.478 -171.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 65.84 2.46 2.18 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.934 2.494 . . . . 0.0 113.573 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.4 mtp-105 -57.98 126.34 27.02 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.864 2.065 . . . . 0.0 110.497 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 p -62.12 -8.51 5.6 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 60.04 11.74 2.83 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.68 1.592 . . . . 0.0 112.473 -168.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.72 17.79 78.29 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-O 117.847 -1.529 . . . . 0.0 114.047 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -155.77 158.33 37.99 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.74 -157.17 8.06 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 126.124 1.821 . . . . 0.0 112.585 173.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -147.39 147.11 29.92 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.323 1.449 . . . . 0.0 111.047 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.9 t -141.63 126.69 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.396 1.078 . . . . 0.0 110.61 174.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 m -101.97 138.42 38.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.639 1.976 . . . . 0.0 107.967 170.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -105.6 149.58 26.18 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.964 0.906 . . . . 0.0 111.281 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.0 mtp -72.62 -6.91 47.5 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.429 1.092 . . . . 0.0 113.549 173.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -153.63 152.07 30.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.492 2.317 . . . . 0.0 110.801 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -75.13 -25.75 58.65 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.696 -0.628 . . . . 0.0 112.273 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.22 -32.51 70.02 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.695 0.798 . . . . 0.0 112.941 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.54 -34.3 78.65 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 119.361 0.982 . . . . 0.0 112.932 173.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 80.6 t -66.42 -48.19 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 118.251 1.025 . . . . 0.0 109.352 173.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.91 -44.04 70.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.073 0.949 . . . . 0.0 112.606 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -67.41 -36.32 81.03 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 82.0 t -70.64 -30.16 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.337 0.655 . . . . 0.0 111.066 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.0 mt -77.03 -38.51 52.68 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.178 -0.951 . . . . 0.0 111.848 173.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.59 -20.51 61.29 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -90.81 138.46 31.57 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.833 1.253 . . . . 0.0 111.371 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -83.65 -5.43 59.18 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -169.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -161.65 144.85 12.3 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.539 1.536 . . . . 0.0 111.216 -176.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -140.09 151.39 45.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.31 1.444 . . . . 0.0 110.655 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -153.2 130.93 11.58 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.749 0.819 . . . . 0.0 111.033 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.8 tp -150.08 131.99 15.16 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.681 1.592 . . . . 0.0 108.996 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 58.32 33.03 22.77 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.567 1.547 . . . . 0.0 112.327 -171.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m 66.0 17.82 10.89 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.585 1.954 . . . . 0.0 113.926 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -116.01 139.22 50.48 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.734 1.614 . . . . 0.0 109.9 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 m -75.87 115.89 16.02 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.2 pt -100.17 150.43 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.26 0.624 . . . . 0.0 111.137 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -129.7 67.4 79.15 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 125.691 1.597 . . . . 0.0 111.466 -172.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -73.79 148.24 40.89 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 124.141 3.227 . . . . 0.0 111.993 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -157.77 163.78 37.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.077 1.751 . . . . 0.0 111.681 -171.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.8 134.1 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 121.122 -0.986 . . . . 0.0 111.136 -174.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.28 149.46 23.79 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -66.94 150.43 97.87 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.181 166.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -50.15 145.06 21.01 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 124.482 3.455 . . . . 0.0 115.422 -171.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -90.06 150.05 22.25 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.78 1.232 . . . . 0.0 112.338 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -142.31 126.28 17.25 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.892 1.677 . . . . 0.0 109.716 174.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -168.23 154.55 7.35 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.001 1.72 . . . . 0.0 111.094 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -146.21 136.29 11.95 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 125.55 1.54 . . . . 0.0 109.644 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.29 156.17 46.29 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.93 3.087 . . . . 0.0 111.649 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.272 1.429 . . . . 0.0 112.061 -169.809 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 0 O4'-C4'-C3' 108.586 2.204 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.153 0 O4'-C1'-N19 111.855 3.655 . 0.088 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 O5'-C5'-C4' 113.283 2.202 . 0.224 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 1 O4'-C1'-N19 112.375 4.175 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 O4'-C1'-N19 112.098 3.898 . 0.056 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -96.86 144.7 26.56 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 121.529 1.968 . . . . 0.0 113.404 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.7 mtp -139.05 137.89 36.67 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.409 1.884 . . . . 0.0 111.952 -174.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -83.86 139.71 32.47 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.896 1.679 . . . . 0.0 108.259 168.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 mm -121.9 102.8 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.178 0.991 . . . . 0.0 109.036 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.34 167.56 26.28 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.242 0.925 . . . . 0.0 113.338 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.73 12.95 82.57 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.46 1.029 . . . . 0.0 115.245 173.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.63 159.64 12.9 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.972 1.309 . . . . 0.0 112.442 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 t -76.88 152.38 35.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.711 0.767 . . . . 0.0 111.473 173.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -62.98 -6.6 4.04 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.292 1.037 . . . . 0.0 113.267 168.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -114.66 6.35 15.66 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.414 1.486 . . . . 0.0 113.417 173.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.3 m -70.53 143.66 51.57 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.652 1.115 . . . . 0.0 110.459 172.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.7 p -124.75 162.21 24.73 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.111 1.765 . . . . 0.0 110.208 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -65.45 -29.62 70.31 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.49 -36.88 79.55 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.864 -0.523 . . . . 0.0 110.861 170.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.8 -33.41 85.8 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.327 0.965 . . . . 0.0 112.454 173.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -61.94 -51.73 66.94 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.495 1.148 . . . . 0.0 111.165 169.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -57.71 -38.69 75.69 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.45 1.023 . . . . 0.0 112.191 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.18 -33.3 70.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.999 0.92 . . . . 0.0 112.846 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -88.94 -42.2 11.95 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.47 1.108 . . . . 0.0 113.402 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -81.33 -19.52 42.66 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 -10.42 48.46 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.76 1.171 . . . . 0.0 114.321 172.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -70.81 -26.62 63.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.619 1.167 . . . . 0.0 112.337 171.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -101.47 -30.11 11.61 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.065 1.346 . . . . 0.0 112.251 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.9 156.27 11.96 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 127.034 2.254 . . . . 0.0 111.286 176.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.08 147.05 53.93 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.466 1.133 . . . . 0.0 111.153 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.9 m -103.73 131.44 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.499 1.119 . . . . 0.0 111.168 -174.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -81.3 -24.17 37.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.337 2.255 . . . . 0.0 112.977 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -161.33 147.92 14.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.436 1.894 . . . . 0.0 108.614 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.6 p -150.73 141.27 22.54 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.976 1.31 . . . . 0.0 110.06 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -147.8 151.71 36.46 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.661 1.584 . . . . 0.0 111.015 -171.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -138.91 127.36 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.974 1.71 . . . . 0.0 106.571 169.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.403 ' HG3' ' CE2' ' A' ' 63' ' ' PHE . 33.4 mmt -88.73 49.8 1.85 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.216 1.006 . . . . 0.0 112.167 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -74.79 145.54 42.83 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -175.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.3 132.1 70.63 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.215 1.406 . . . . 0.0 109.992 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.36 -12.46 12.77 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.65 2.233 . . . . 0.0 114.057 -174.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 73.8 mt -94.7 -43.38 8.29 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.753 1.221 . . . . 0.0 111.321 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.0 p -104.4 -7.71 19.7 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.749 1.22 . . . . 0.0 112.977 -174.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 64.53 0.49 1.11 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.983 2.513 . . . . 0.0 113.769 176.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.4 mmt-85 -61.87 134.88 57.25 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.651 1.18 . . . . 0.0 110.267 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.3 p -80.85 -2.55 47.82 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.57 1.148 . . . . 0.0 113.474 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 61.5 2.44 0.67 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.913 1.685 . . . . 0.0 112.39 -168.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.52 21.8 77.69 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.456 1.503 . . . . 0.0 113.882 -174.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.403 ' CE2' ' HG3' ' A' ' 52' ' ' MET . 5.2 p90 -155.45 160.45 40.62 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.845 1.822 . . . . 0.0 115.158 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.65 -157.57 8.49 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.764 1.649 . . . . 0.0 112.918 173.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -145.83 151.65 38.25 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.174 1.39 . . . . 0.0 111.244 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.7 t -143.38 134.92 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.882 1.273 . . . . 0.0 109.799 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.7 m -111.67 133.52 53.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.182 1.393 . . . . 0.0 108.105 170.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -91.97 152.49 19.99 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.696 0.798 . . . . 0.0 112.114 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.8 mtt -72.16 -8.85 57.03 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.086 0.954 . . . . 0.0 113.454 170.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -157.01 142.85 17.75 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.521 1.928 . . . . 0.0 111.421 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -68.61 -23.99 64.52 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.357 0.663 . . . . 0.0 112.114 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.79 -19.61 64.2 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.58 -33.83 18.11 Favored Glycine 0 N--CA 1.468 0.824 0 CA-C-N 119.771 1.168 . . . . 0.0 112.555 170.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.65 -46.09 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 117.955 0.878 . . . . 0.0 109.464 170.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -50.03 -47.45 53.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.459 1.104 . . . . 0.0 112.702 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -65.73 -35.75 81.62 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -70.94 -31.95 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.251 0.62 . . . . 0.0 111.319 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.4 mt -77.25 -38.02 51.9 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.178 -0.951 . . . . 0.0 111.972 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.44 -17.14 62.39 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -176.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -94.64 137.32 33.89 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.711 1.204 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.2 m -80.11 -10.04 59.74 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -169.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -162.87 148.14 11.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.492 1.517 . . . . 0.0 111.43 -176.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -136.88 154.44 50.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.593 1.557 . . . . 0.0 110.759 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -152.13 132.24 13.51 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.156 0.982 . . . . 0.0 110.642 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.4 tp -149.38 130.1 14.12 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.507 1.523 . . . . 0.0 108.884 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.0 t70 59.61 35.35 22.49 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.562 1.545 . . . . 0.0 112.585 -174.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 66.1 18.58 11.03 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.287 1.835 . . . . 0.0 113.895 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -117.95 131.83 56.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.289 1.836 . . . . 0.0 109.616 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.2 m -66.43 121.38 15.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.512 1.125 . . . . 0.0 108.677 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.1 pt -107.18 156.02 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.369 0.668 . . . . 0.0 111.103 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -128.69 80.61 72.31 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.4 1.48 . . . . 0.0 110.619 -173.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -86.36 140.62 6.49 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.921 3.081 . . . . 0.0 111.399 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -157.09 165.19 36.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.555 1.542 . . . . 0.0 112.156 -169.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.44 133.92 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 O-C-N 121.283 -0.886 . . . . 0.0 110.713 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.5 140.35 37.31 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.948 0.899 . . . . 0.0 113.356 -176.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -64.31 160.63 48.45 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 124.809 1.243 . . . . 0.0 111.379 168.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -52.77 166.17 0.94 Allowed 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 124.714 3.609 . . . . 0.0 115.712 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.18 143.05 29.02 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.742 1.617 . . . . 0.0 112.671 -170.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -119.75 126.84 52.02 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.507 1.523 . . . . 0.0 110.624 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -165.41 163.76 19.7 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.578 1.951 . . . . 0.0 110.895 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -144.07 146.23 33.07 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.511 1.524 . . . . 0.0 109.942 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -74.34 140.84 27.96 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.385 2.723 . . . . 0.0 110.882 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.18 1.792 . . . . 0.0 111.443 -177.484 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 O4'-C4'-C3' 108.475 2.125 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.082 0 O4'-C1'-N19 111.833 3.633 . 0.549 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.916 0 O5'-C5'-C4' 113.774 2.553 . 0.224 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.299 1 O4'-C1'-N19 114.067 5.867 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.231 1 O4'-C1'-N19 112.3 4.1 . 0.119 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -115.14 147.1 40.68 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.931 1.696 . . . . 0.0 113.349 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.6 mtp -138.71 139.22 38.31 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 126.307 1.843 . . . . 0.0 112.379 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -82.6 139.24 33.9 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.195 1.798 . . . . 0.0 107.435 167.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mm -122.4 102.42 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.201 1.0 . . . . 0.0 109.316 -175.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.62 171.85 30.87 Favored Glycine 0 N--CA 1.474 1.179 0 C-N-CA 124.037 0.827 . . . . 0.0 113.254 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.44 18.0 78.08 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.187 0.899 . . . . 0.0 115.127 171.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.09 166.8 15.29 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.84 1.256 . . . . 0.0 112.258 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.2 t -82.26 151.27 26.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.441 0.696 . . . . 0.0 110.611 169.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -62.73 -10.83 14.11 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.786 -1.196 . . . . 0.0 113.2 169.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -98.92 -6.7 28.33 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.525 1.93 . . . . 0.0 112.874 174.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.2 m -69.16 140.96 54.68 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.76 1.164 . . . . 0.0 110.74 176.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.6 p -122.87 165.4 16.71 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.252 1.821 . . . . 0.0 110.374 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -66.13 -25.6 67.06 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 176.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.51 -36.69 71.17 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.88 0.472 . . . . 0.0 110.743 169.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.53 87.45 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.176 0.893 . . . . 0.0 112.341 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.14 -52.19 65.92 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 118.491 1.146 . . . . 0.0 110.753 169.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -56.3 -38.45 71.27 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.043 0.838 . . . . 0.0 112.401 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.55 -35.08 75.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.212 1.005 . . . . 0.0 112.952 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -88.02 -39.39 14.7 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.422 1.089 . . . . 0.0 113.166 177.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -82.63 -16.76 47.11 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -174.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 -11.59 44.32 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.568 1.08 . . . . 0.0 114.401 170.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -73.16 -26.2 61.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.815 1.246 . . . . 0.0 112.578 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -102.45 -19.98 14.71 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.878 1.271 . . . . 0.0 112.779 -173.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.9 165.4 22.13 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 126.198 1.856 . . . . 0.0 111.93 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.59 130.05 41.71 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 122.058 -0.672 . . . . 0.0 109.984 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.2 m -86.3 135.25 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-O 121.66 0.743 . . . . 0.0 111.05 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -83.02 -25.92 31.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.715 2.006 . . . . 0.0 112.403 172.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -162.42 145.62 11.44 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.724 1.61 . . . . 0.0 109.422 -174.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.7 m -141.31 140.86 33.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.777 1.631 . . . . 0.0 109.305 171.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.9 mt -144.22 153.14 41.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.562 1.545 . . . . 0.0 111.122 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.0 t -138.71 129.73 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.725 1.61 . . . . 0.0 107.5 169.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 35.6 mmt -92.32 51.61 1.8 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.581 1.153 . . . . 0.0 111.796 -169.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -70.17 149.06 47.93 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.208 1.003 . . . . 0.0 113.624 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -75.2 130.51 80.2 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.127 1.371 . . . . 0.0 110.311 170.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -81.57 -10.54 11.97 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.546 2.164 . . . . 0.0 114.5 -173.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.7 -34.44 14.65 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.615 1.098 . . . . 0.0 111.842 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.6 p -117.17 -10.34 10.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.12 1.368 . . . . 0.0 113.467 -172.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.26 2.01 2.21 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.838 2.455 . . . . 0.0 113.969 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -57.57 130.16 45.12 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.755 1.622 . . . . 0.0 110.281 171.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.0 p -69.86 -4.99 22.75 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.008 1.323 . . . . 0.0 114.444 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 61.24 7.77 1.79 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.904 1.682 . . . . 0.0 112.1 -167.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.09 18.67 79.76 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.004 -1.442 . . . . 0.0 114.087 -178.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -156.26 160.22 39.59 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.969 1.885 . . . . 0.0 115.586 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.43 -156.6 7.99 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 125.813 1.673 . . . . 0.0 113.048 174.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -147.05 151.63 37.23 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.397 1.479 . . . . 0.0 111.016 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.9 t -143.5 138.17 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.547 1.139 . . . . 0.0 110.086 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.6 m -118.55 138.95 52.19 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.295 1.438 . . . . 0.0 108.562 173.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -98.05 156.65 16.55 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.545 1.138 . . . . 0.0 112.167 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.5 mmt -65.12 -17.41 64.44 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 171.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -155.55 156.41 35.09 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.344 1.858 . . . . 0.0 110.884 173.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -58.53 -26.1 63.16 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.825 1.25 . . . . 0.0 113.466 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.09 -18.63 48.45 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.53 -27.62 26.77 Favored Glycine 0 CA--C 1.529 0.937 0 CA-C-N 119.435 1.016 . . . . 0.0 113.242 170.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.64 -45.6 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.326 1.063 . . . . 0.0 109.089 169.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -49.62 -47.26 49.87 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.578 1.151 . . . . 0.0 112.662 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -66.17 -35.98 81.88 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.74 -31.34 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.168 0.587 . . . . 0.0 111.222 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.8 mt -77.3 -38.2 51.14 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.226 -0.921 . . . . 0.0 112.091 174.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -16.92 62.68 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -176.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -95.61 136.9 35.41 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.929 1.291 . . . . 0.0 110.698 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -81.25 -11.02 59.49 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -168.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -163.45 148.18 10.97 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.227 1.411 . . . . 0.0 111.59 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -141.31 153.42 45.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.718 1.607 . . . . 0.0 110.659 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -152.18 132.57 13.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.03 0.932 . . . . 0.0 110.73 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.8 tp -149.2 130.93 15.04 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.609 1.563 . . . . 0.0 109.309 -177.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.5 t70 59.08 34.06 23.21 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.727 1.611 . . . . 0.0 112.669 -175.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m 66.48 22.97 10.59 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.27 1.828 . . . . 0.0 113.721 -177.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -123.53 134.66 53.83 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.594 1.558 . . . . 0.0 109.828 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.8 m -76.23 118.65 19.17 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 pt -100.21 158.43 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.838 0.855 . . . . 0.0 111.316 -174.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.51 77.37 73.55 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 125.313 1.445 . . . . 0.0 111.182 -171.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -84.6 147.4 10.98 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.747 2.965 . . . . 0.0 111.896 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -158.63 161.51 37.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.852 1.661 . . . . 0.0 111.784 -171.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.7 t -62.93 134.52 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 O-C-N 121.111 -0.993 . . . . 0.0 110.632 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.6 142.03 33.17 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.016 0.926 . . . . 0.0 113.205 -175.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -62.64 136.99 96.39 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.87 0.868 . . . . 0.0 109.865 169.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -67.71 167.99 19.63 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 124.022 3.148 . . . . 0.0 113.693 -169.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -145.29 170.96 15.27 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.948 1.699 . . . . 0.0 112.9 -172.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -135.55 133.34 38.27 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.176 1.79 . . . . 0.0 110.658 177.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -156.27 136.96 13.31 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.101 1.76 . . . . 0.0 110.035 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -147.76 150.3 35.9 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.449 1.5 . . . . 0.0 110.109 -172.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.34 163.92 35.25 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.861 3.041 . . . . 0.0 112.162 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.305 0 C-N-CA 125.96 1.704 . . . . 0.0 112.992 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 O4'-C1'-N19 110.577 2.377 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.051 0 C5'-C4'-C3' 111.141 -2.906 . 0.139 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 100.178 -2.522 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 1 O4'-C1'-N19 114.182 5.982 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.409 1 O4'-C1'-N19 112.985 4.785 . 0.04 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 119.746 -0.168 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -144.75 145.32 31.62 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.695 -1.253 . . . . 0.0 113.294 -170.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.6 mtp -141.13 137.91 33.09 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.52 1.528 . . . . 0.0 112.408 -171.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -81.82 137.31 35.3 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.164 1.785 . . . . 0.0 107.673 167.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.1 mm -120.33 98.83 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.132 0.973 . . . . 0.0 108.875 -175.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.93 165.87 24.53 Favored Glycine 0 N--CA 1.471 1.006 0 C-N-CA 124.283 0.944 . . . . 0.0 113.828 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.32 15.06 78.96 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.533 1.063 . . . . 0.0 115.282 172.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.7 mt -59.79 157.37 12.31 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.977 1.311 . . . . 0.0 112.541 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -71.14 146.12 49.37 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.965 -0.46 . . . . 0.0 109.779 168.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -58.7 -13.96 7.3 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.943 -1.098 . . . . 0.0 113.827 170.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.11 -9.86 44.07 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.863 1.265 . . . . 0.0 113.792 174.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.7 m -69.41 139.93 54.11 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.511 1.05 . . . . 0.0 111.237 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.6 p -118.95 163.3 17.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.191 1.797 . . . . 0.0 110.21 174.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.43 -25.86 65.23 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 177.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.17 -36.97 77.94 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.824 -0.548 . . . . 0.0 110.462 168.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.69 -33.39 84.21 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.426 1.013 . . . . 0.0 112.516 172.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.94 -50.66 71.26 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.668 1.234 . . . . 0.0 111.0 169.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -56.9 -39.77 75.01 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.504 1.047 . . . . 0.0 112.083 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.56 -33.84 71.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.981 0.912 . . . . 0.0 112.872 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -86.46 -40.83 14.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.448 1.099 . . . . 0.0 113.463 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -83.95 -19.14 35.17 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -172.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.61 -10.09 47.79 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.537 1.065 . . . . 0.0 114.301 171.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -70.32 -26.21 63.66 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.718 1.207 . . . . 0.0 112.362 171.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -103.03 -33.65 9.19 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.354 1.461 . . . . 0.0 111.772 -176.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.58 150.21 8.1 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 126.148 1.832 . . . . 0.0 111.137 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.33 145.38 47.93 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 117.786 0.793 . . . . 0.0 110.709 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 m -100.23 130.93 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.216 1.007 . . . . 0.0 110.506 -172.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -75.08 -28.78 60.47 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.431 1.893 . . . . 0.0 112.079 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -163.88 151.58 12.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.929 1.691 . . . . 0.0 109.611 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.0 p -145.9 143.78 29.78 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.401 1.081 . . . . 0.0 111.288 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.4 mt -144.67 144.69 31.36 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.212 1.405 . . . . 0.0 111.251 -170.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.67 127.91 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.289 1.435 . . . . 0.0 107.223 168.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.3 mmt -88.2 50.22 1.94 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.916 1.286 . . . . 0.0 111.607 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -66.83 149.31 50.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.097 1.359 . . . . 0.0 113.818 -171.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.33 120.57 82.06 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 125.472 1.509 . . . . 0.0 110.28 173.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.18 -14.41 28.67 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.543 2.162 . . . . 0.0 113.668 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -81.82 -32.16 31.38 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.411 1.005 . . . . 0.0 113.191 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 p -126.27 -12.07 6.3 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.73 1.612 . . . . 0.0 114.273 -172.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 67.04 8.65 6.31 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 127.573 2.349 . . . . 0.0 113.892 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -56.51 133.29 53.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.454 1.101 . . . . 0.0 109.912 169.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 p -58.5 -17.72 23.46 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 172.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.22 7.54 6.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.511 2.325 . . . . 0.0 112.757 -175.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.18 8.53 74.97 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-O 117.981 -1.455 . . . . 0.0 114.937 173.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -159.97 161.31 34.12 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.824 1.812 . . . . 0.0 115.123 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.01 -158.63 9.01 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 125.761 1.648 . . . . 0.0 112.865 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -147.43 149.58 32.98 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.717 1.607 . . . . 0.0 110.76 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.6 t -140.53 133.06 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.262 1.025 . . . . 0.0 110.083 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.2 m -109.05 134.5 51.59 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.009 1.724 . . . . 0.0 107.459 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -101.54 153.92 19.3 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.384 1.073 . . . . 0.0 112.25 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.2 mmt -66.81 -18.93 65.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.98 0.912 . . . . 0.0 113.364 172.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -156.42 154.49 30.55 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.772 1.629 . . . . 0.0 111.206 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -63.4 -24.26 67.76 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.538 1.135 . . . . 0.0 112.664 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.6 -25.31 64.53 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 178.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.93 -39.84 15.85 Favored Glycine 0 C--N 1.341 0.836 0 CA-C-N 118.953 0.797 . . . . 0.0 112.288 171.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.18 -48.97 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.931 0.892 . . . . 0.0 109.669 174.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -52.65 -46.14 67.01 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.887 1.275 . . . . 0.0 112.62 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.53 -36.39 82.58 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.73 -29.55 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.091 0.556 . . . . 0.0 111.115 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.82 -38.14 38.95 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.243 -0.91 . . . . 0.0 112.109 173.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.54 -23.24 62.59 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -84.33 142.57 30.09 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.819 1.248 . . . . 0.0 111.405 177.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 p -79.62 -24.5 41.91 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -169.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -155.74 147.42 23.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.413 1.485 . . . . 0.0 111.903 -174.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -136.0 153.9 51.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.777 1.631 . . . . 0.0 110.843 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -152.6 131.62 12.6 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.277 1.031 . . . . 0.0 110.529 -172.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.2 tp -149.26 126.97 11.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.355 1.462 . . . . 0.0 109.067 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.3 t70 58.21 38.33 26.23 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.793 1.637 . . . . 0.0 112.643 -171.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.6 m 66.69 17.0 10.53 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.079 1.751 . . . . 0.0 113.864 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -115.89 131.75 56.85 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.427 1.891 . . . . 0.0 109.481 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.7 m -66.63 121.87 16.35 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.463 1.105 . . . . 0.0 108.589 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.1 pt -108.08 155.88 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.445 0.698 . . . . 0.0 111.244 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -124.78 82.77 59.9 Favored Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 125.531 1.532 . . . . 0.0 110.359 -177.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -86.41 132.9 3.76 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.768 2.979 . . . . 0.0 110.233 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -153.74 164.05 38.98 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.166 1.386 . . . . 0.0 112.093 -169.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.18 131.09 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 O-C-N 121.273 -0.892 . . . . 0.0 110.844 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.38 136.61 39.51 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.615 0.766 . . . . 0.0 111.258 177.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -55.03 134.71 67.69 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 123.687 0.795 . . . . 0.0 110.903 175.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.26 154.4 69.79 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.703 2.935 . . . . 0.0 112.166 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -110.98 12.54 22.12 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.574 1.15 . . . . 0.0 113.127 -175.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -163.7 144.74 8.95 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.155 2.582 . . . . 0.0 109.881 -172.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -152.77 156.99 40.16 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.475 1.51 . . . . 0.0 111.376 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -144.65 150.42 46.94 Favored Pre-proline 0 CA--C 1.546 0.794 0 C-N-CA 125.897 1.679 . . . . 0.0 109.813 -177.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -72.79 152.3 52.5 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.588 2.858 . . . . 0.0 111.941 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt . . . . . 0 C--O 1.253 1.282 0 C-N-CA 125.861 1.664 . . . . 0.0 111.325 -178.233 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 O4'-C4'-C3' 108.598 2.213 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.21 0 O4'-C1'-N19 111.991 3.791 . 0.599 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.634 0 O5'-C5'-C4' 113.56 2.4 . 0.248 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.132 1 O4'-C1'-N19 114.131 5.931 . 0.015 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.206 0 O4'-C1'-N19 111.03 2.83 . 0.08 1o . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 111.462 0.171 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.7 tttt 92.3 136.63 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 129.785 3.234 . . . . 0.0 114.08 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.6 mtp -142.44 139.09 31.49 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 126.331 1.852 . . . . 0.0 111.985 -171.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -82.23 138.55 34.61 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.15 1.78 . . . . 0.0 108.276 167.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mm -121.52 100.67 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.174 0.99 . . . . 0.0 109.202 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.59 167.38 28.5 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 124.062 0.839 . . . . 0.0 113.222 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.96 18.94 79.34 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.13 0.871 . . . . 0.0 115.123 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.33 165.06 14.79 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.863 1.265 . . . . 0.0 112.259 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.5 t -82.6 153.12 25.62 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.471 0.709 . . . . 0.0 111.088 169.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -65.95 -10.81 42.53 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.971 -1.081 . . . . 0.0 112.342 168.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -95.92 -7.32 36.96 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.045 1.338 . . . . 0.0 113.047 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.3 m -68.43 142.7 55.3 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.499 1.045 . . . . 0.0 110.198 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.3 p -121.97 161.68 22.48 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.64 1.576 . . . . 0.0 109.637 173.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.47 -26.2 65.36 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.45 -35.62 75.83 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.872 -0.518 . . . . 0.0 110.598 168.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.57 -33.82 82.3 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.494 1.045 . . . . 0.0 112.429 172.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.77 -49.98 74.22 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 118.566 1.183 . . . . 0.0 110.739 169.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -57.12 -38.8 73.97 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.25 0.932 . . . . 0.0 112.256 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -60.1 -36.68 77.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.719 0.808 . . . . 0.0 112.859 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -84.15 -39.68 19.13 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.49 1.116 . . . . 0.0 113.409 177.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -86.47 -22.28 26.55 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.76 -12.27 52.77 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.071 1.32 . . . . 0.0 113.917 172.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -75.22 -20.03 59.47 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.811 1.245 . . . . 0.0 112.405 173.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -102.49 -39.31 7.18 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.527 1.531 . . . . 0.0 111.192 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.62 152.45 11.92 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.48 1.514 . . . . 0.0 112.029 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.87 145.81 55.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 117.777 0.788 . . . . 0.0 111.415 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.9 m -102.38 133.53 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.49 1.116 . . . . 0.0 111.421 -171.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.46 -24.25 34.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.034 2.133 . . . . 0.0 112.493 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -164.05 147.32 9.61 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.064 2.146 . . . . 0.0 108.386 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 p -149.59 142.45 24.73 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.848 1.259 . . . . 0.0 110.206 177.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.1 mt -146.53 143.46 28.92 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.289 1.436 . . . . 0.0 111.524 -171.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.3 t -135.74 129.58 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.379 1.471 . . . . 0.0 107.123 167.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 31.8 mmt -85.86 56.72 4.1 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.499 1.119 . . . . 0.0 112.866 -169.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 60' ' ' SER . 60.8 mtm180 -72.55 124.53 25.42 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.255 1.022 . . . . 0.0 112.691 176.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -70.47 131.71 88.05 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.263 1.425 . . . . 0.0 109.576 169.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -79.6 -12.69 13.68 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.117 1.878 . . . . 0.0 114.309 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -93.81 -40.87 9.95 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.686 1.13 . . . . 0.0 111.555 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.3 p -106.3 -9.68 16.7 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.073 0.949 . . . . 0.0 113.462 -174.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt 68.73 -0.63 2.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.699 2.4 . . . . 0.0 113.381 174.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.0 mmt-85 -74.19 135.72 42.79 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.787 1.235 . . . . 0.0 110.688 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 97.2 p -88.02 -1.62 58.1 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.649 1.58 . . . . 0.0 113.644 -179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 57.74 11.99 1.5 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.815 1.646 . . . . 0.0 112.2 -168.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.99 27.07 73.52 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-O 118.22 -1.322 . . . . 0.0 114.057 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -153.96 162.38 41.26 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.754 1.777 . . . . 0.0 114.939 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.28 -159.2 9.45 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.901 1.715 . . . . 0.0 113.065 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -147.16 150.9 35.86 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.649 1.58 . . . . 0.0 111.037 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.5 t -142.87 133.64 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.653 1.181 . . . . 0.0 110.125 176.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.4 m -110.22 137.85 47.39 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.684 1.593 . . . . 0.0 108.182 170.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.53 150.31 22.81 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.112 0.965 . . . . 0.0 111.151 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 55.6 mtp -70.91 -6.26 37.06 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -155.78 156.52 34.94 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.677 2.391 . . . . 0.0 110.859 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -73.16 -27.77 61.85 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.62 -0.675 . . . . 0.0 112.226 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.12 68.97 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.57 -32.56 78.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 121.195 -0.94 . . . . 0.0 113.004 173.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.34 -47.61 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 118.127 0.963 . . . . 0.0 109.464 172.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.22 -43.06 74.13 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.891 0.876 . . . . 0.0 112.223 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -65.8 -35.29 80.27 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.6 t -71.28 -40.37 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 122.845 0.458 . . . . 0.0 110.718 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.3 mt -69.82 -35.49 74.85 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.264 0.626 . . . . 0.0 112.293 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.94 -11.22 60.45 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -105.29 139.99 39.1 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.381 1.472 . . . . 0.0 110.201 176.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.9 t -91.81 -5.6 53.18 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -168.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -162.06 145.39 11.92 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.982 1.313 . . . . 0.0 111.542 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -144.51 156.41 44.15 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.749 1.62 . . . . 0.0 110.637 -177.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -154.58 133.13 12.03 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.936 0.894 . . . . 0.0 110.887 -173.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.0 tp -149.75 129.39 13.16 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.723 1.609 . . . . 0.0 108.983 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.6 t70 57.71 34.8 24.91 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.658 1.583 . . . . 0.0 112.66 -170.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 m 65.92 17.91 10.94 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.882 1.673 . . . . 0.0 113.7 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -115.75 130.94 57.04 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.186 1.795 . . . . 0.0 109.102 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.8 m -73.72 117.08 15.07 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.453 1.101 . . . . 0.0 108.749 -177.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.3 pt -99.3 153.46 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.585 0.754 . . . . 0.0 110.927 -176.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -129.95 76.63 77.91 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 125.303 1.441 . . . . 0.0 111.094 -171.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -84.79 146.89 10.61 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.709 2.939 . . . . 0.0 112.013 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -159.37 162.42 35.84 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.824 1.65 . . . . 0.0 111.94 -170.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.64 134.99 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 O-C-N 121.186 -0.946 . . . . 0.0 110.913 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.4 133.34 36.56 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.886 0.875 . . . . 0.0 113.193 -175.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -63.87 139.56 97.67 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 124.445 1.098 . . . . 0.0 110.391 169.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.41 158.19 56.84 Favored 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.64 2.893 . . . . 0.0 112.982 -173.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -138.22 164.64 28.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.339 2.255 . . . . 0.0 110.482 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -127.62 119.33 25.67 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.189 1.396 . . . . 0.0 110.729 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -164.55 165.61 21.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.173 2.189 . . . . 0.0 110.602 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -143.91 151.92 54.0 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.256 1.422 . . . . 0.0 110.589 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -79.41 64.73 8.88 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 124.274 3.316 . . . . 0.0 110.023 172.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.602 1.561 . . . . 0.0 111.838 -169.695 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 0 O4'-C4'-C3' 108.843 2.388 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.167 0 O4'-C1'-N19 111.189 2.989 . 0.093 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 100.269 -2.431 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.342 1 O4'-C1'-N19 113.944 5.744 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 1 O4'-C1'-N19 112.508 4.308 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_