data_2dco_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 2dco _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 CA--C 1.543 0.681 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -40.01 103.8 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.933 1.693 . . . . 0.0 112.267 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.5 t0 33.97 42.26 0.05 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.8 2.44 . . . . 0.0 114.748 -168.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.67 9.12 1.04 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 -173.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -80.82 -59.32 2.72 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.832 1.196 . . . . 0.0 111.416 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER -76.52 -1.66 28.41 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.146 -0.971 . . . . 0.0 113.446 -176.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -27.14 55.21 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.35 1.06 . . . . 0.0 113.301 173.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -73.15 -60.71 2.11 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.527 1.531 . . . . 0.0 110.106 163.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -56.24 -15.06 3.31 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 116.773 2.138 . . . . 0.0 116.773 -171.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.3 -28.38 61.15 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 119.931 -1.731 . . . . 0.0 113.888 169.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.37 -45.24 84.87 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.779 1.172 . . . . 0.0 110.796 163.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.94 -22.75 67.05 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.365 0.666 . . . . 0.0 112.102 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.6 t -75.86 -32.5 59.76 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.564 1.146 . . . . 0.0 113.812 171.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -132.66 -60.45 0.08 OUTLIER Glycine 0 N--CA 1.475 1.288 0 N-CA-C 115.493 0.957 . . . . 0.0 115.493 -172.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.09 -15.32 44.28 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 ptt85 -34.74 -41.8 0.14 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.502 1.921 . . . . 0.0 114.777 170.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -56.06 -20.76 18.36 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.783 1.633 . . . . 0.0 113.877 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -122.05 15.05 10.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.187 1.795 . . . . 0.0 111.907 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -130.15 -75.2 0.54 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.993 1.717 . . . . 0.0 109.475 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.322 2.6 pp 36.37 -4.96 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 131.21 3.804 . . . . 0.0 120.63 -169.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.46 -50.81 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 116.571 -1.68 . . . . 0.0 114.067 169.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.11 -23.09 59.38 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 123.598 2.866 . . . . 0.0 115.575 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.38 -13.96 12.24 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.439 1.095 . . . . 0.0 113.092 176.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -76.18 55.81 0.98 Allowed 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.391 -1.443 . . . . 0.0 111.048 174.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -146.15 2.02 0.87 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.494 1.917 . . . . 0.0 113.081 -165.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.44 -68.36 0.58 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.301 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.9 t -47.37 -46.01 25.42 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 121.637 2.017 . . . . 0.0 114.462 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -61.86 -10.51 9.44 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.854 2.062 . . . . 0.0 115.757 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -151.35 -35.31 0.14 Allowed 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 -166.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.6 m -59.49 -32.99 70.78 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.69 1.196 . . . . 0.0 111.694 170.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -141.24 8.62 2.04 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 61.61 38.17 15.63 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.221 1.408 . . . . 0.0 114.375 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 C-N-CA 128.024 2.53 . . . . 0.0 115.972 179.475 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -32.28 106.56 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.796 2.039 . . . . 0.0 112.801 170.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.4 t0 33.75 41.98 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.479 2.712 . . . . 0.0 115.259 -171.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.04 -0.67 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.861 2.064 . . . . 0.0 116.33 -170.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -69.57 -55.07 11.16 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.764 -1.21 . . . . 0.0 110.631 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.27 0.0 OUTLIER -79.46 -8.6 59.24 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.238 -0.887 . . . . 0.0 113.315 -178.532 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 t -60.93 -26.06 67.22 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.451 1.478 . . . . 0.0 113.786 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -77.41 -51.76 10.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.368 1.067 . . . . 0.0 110.537 167.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.32 -11.61 0.83 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.559 1.944 . . . . 0.0 115.188 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.55 -41.73 96.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.639 1.976 . . . . 0.0 111.606 167.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.51 -36.78 85.31 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.167 0.987 . . . . 0.0 112.298 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.73 -8.99 7.72 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.58 1.552 . . . . 0.0 113.016 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -100.92 -7.53 23.34 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.334 1.054 . . . . 0.0 113.815 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.91 -59.41 0.01 OUTLIER Glycine 0 N--CA 1.475 1.283 0 O-C-N 120.676 -1.265 . . . . 0.0 115.579 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 -12.94 56.98 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 118.466 1.133 . . . . 0.0 113.815 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -34.8 -42.77 0.16 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.951 2.1 . . . . 0.0 114.441 168.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 m -57.73 -17.87 17.87 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.519 1.927 . . . . 0.0 113.658 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -123.17 14.16 9.73 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.367 1.867 . . . . 0.0 111.512 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -133.31 -72.33 0.51 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.44 1.896 . . . . 0.0 110.102 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.338 2.5 pp 33.17 -2.53 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 131.462 3.905 . . . . 0.0 121.059 -165.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.73 -48.15 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.94 0 CA-C-O 116.571 -1.681 . . . . 0.0 114.647 172.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.84 -40.52 83.6 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 123.118 2.545 . . . . 0.0 114.57 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.42 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -90.45 -25.84 20.13 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.865 0.866 . . . . 0.0 112.336 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -74.02 44.34 0.18 Allowed 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.007 -1.683 . . . . 0.0 112.066 171.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.42 ' H ' ' C ' ' A' ' 24' ' ' ALA . 54.8 t-105 -140.55 14.01 2.35 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.381 2.672 . . . . 0.0 111.474 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.0 m -133.63 -66.54 0.64 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.571 1.148 . . . . 0.0 112.856 -174.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.5 t -54.47 -42.63 70.88 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.269 -1.52 . . . . 0.0 114.324 -167.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -84.51 5.76 26.31 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.881 1.272 . . . . 0.0 114.245 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.47 -29.64 0.43 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -175.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.8 m -62.85 -34.39 77.25 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.744 1.156 . . . . 0.0 111.47 165.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.9 9.88 1.01 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 61.07 36.03 18.55 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 C-N-CA 127.04 2.136 . . . . 0.0 114.826 177.578 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 CA--C 1.546 0.793 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -159.52 99.53 1.44 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.724 2.01 . . . . 0.0 105.964 169.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.6 t0 36.71 50.94 0.87 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.186 1.795 . . . . 0.0 114.254 -169.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.63 11.51 0.9 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -91.64 -58.44 2.42 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.83 1.195 . . . . 0.0 112.667 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -77.55 -3.67 41.83 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -177.225 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -56.09 -37.2 69.05 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.901 1.28 . . . . 0.0 113.126 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.69 -50.59 64.34 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.685 1.194 . . . . 0.0 110.375 166.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -62.29 7.07 0.07 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.387 2.275 . . . . 0.0 116.313 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -110.21 -14.53 14.17 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.609 -1.307 . . . . 0.0 113.523 165.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -62.41 -41.83 98.98 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.773 1.169 . . . . 0.0 110.493 156.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.87 -22.31 24.76 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.423 1.089 . . . . 0.0 112.681 172.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -86.05 -14.1 45.4 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.545 1.138 . . . . 0.0 113.78 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.55 -56.8 0.01 OUTLIER Glycine 0 CA--C 1.535 1.342 0 CA-C-N 119.72 1.145 . . . . 0.0 115.719 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.34 -13.23 36.74 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -34.08 -41.73 0.11 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.219 2.208 . . . . 0.0 114.714 169.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -54.86 -21.69 12.2 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.134 1.774 . . . . 0.0 114.083 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -119.17 15.03 13.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.057 1.743 . . . . 0.0 111.863 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -132.63 -70.77 0.54 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.124 1.37 . . . . 0.0 110.765 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.341 2.7 pp 35.34 -3.28 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 131.011 3.724 . . . . 0.0 120.558 -166.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.98 -47.28 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 CA-C-O 116.587 -1.673 . . . . 0.0 114.377 170.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.47 -41.07 81.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 123.16 2.574 . . . . 0.0 114.936 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -93.21 -27.34 16.92 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.843 0.857 . . . . 0.0 112.529 177.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -72.2 37.56 0.07 Allowed 'General case' 0 N--CA 1.481 1.089 0 O-C-N 120.002 -1.686 . . . . 0.0 113.181 170.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.458 ' H ' ' C ' ' A' ' 24' ' ' ALA . 28.7 t-105 -138.77 15.16 2.7 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 128.84 2.856 . . . . 0.0 112.177 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 m -127.46 -76.89 0.57 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.331 1.053 . . . . 0.0 110.775 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.8 t -52.05 -46.69 65.19 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.232 -0.918 . . . . 0.0 113.243 -172.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -62.73 -8.18 6.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.684 1.994 . . . . 0.0 115.162 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -142.6 -40.45 0.34 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -171.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.2 m -57.13 -33.73 67.67 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.76 1.224 . . . . 0.0 112.016 172.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -144.28 15.51 1.67 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 63.1 30.11 16.16 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.208 1.403 . . . . 0.0 114.483 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 127.902 2.481 . . . . 0.0 115.067 -174.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p . . . . . 0 CA--C 1.554 1.131 0 N-CA-C 120.736 3.606 . . . . 0.0 120.736 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -35.48 112.7 0.17 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.284 2.233 . . . . 0.0 113.588 175.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 t0 34.0 41.28 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.704 2.802 . . . . 0.0 114.676 -171.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.85 13.66 2.18 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.682 1.993 . . . . 0.0 116.082 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -94.56 -51.03 4.93 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.669 1.122 . . . . 0.0 110.882 175.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -76.45 -3.73 38.75 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.162 -0.961 . . . . 0.0 113.584 -177.643 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -60.7 -30.67 70.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.201 1.801 . . . . 0.0 112.341 170.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.42 -58.93 5.06 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.652 1.181 . . . . 0.0 109.274 164.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -61.04 6.57 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.694 2.397 . . . . 0.0 116.883 -170.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.255 2.4 pt-20 -99.4 -26.62 14.08 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.278 1.431 . . . . 0.0 112.222 172.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.18 -43.74 98.4 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.511 1.051 . . . . 0.0 110.71 159.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.16 -1.75 2.43 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.924 1.69 . . . . 0.0 113.231 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -111.07 -6.06 14.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.026 1.33 . . . . 0.0 113.306 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.83 -57.46 0.01 OUTLIER Glycine 0 N--CA 1.472 1.091 0 O-C-N 120.999 -1.063 . . . . 0.0 114.942 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -17.07 62.7 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -34.87 -42.87 0.17 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.222 2.209 . . . . 0.0 114.789 171.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -55.87 -20.95 17.58 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.217 1.807 . . . . 0.0 113.841 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -124.55 17.28 8.87 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.196 1.799 . . . . 0.0 111.808 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -131.52 -75.83 0.52 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.199 1.799 . . . . 0.0 109.64 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.343 2.8 pp 35.69 -2.08 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 131.165 3.786 . . . . 0.0 121.058 -169.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.8 -43.94 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.076 0 CA-C-O 116.758 -1.591 . . . . 0.0 115.058 170.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -60.59 -19.81 61.74 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 123.627 2.884 . . . . 0.0 115.44 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.91 -26.3 4.83 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.636 1.174 . . . . 0.0 113.047 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.79 56.4 0.4 Allowed 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.126 -1.609 . . . . 0.0 111.807 169.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -146.6 5.72 0.92 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 128.282 2.633 . . . . 0.0 112.383 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.83 -70.4 0.58 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 118.176 -0.916 . . . . 0.0 112.351 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.81 -42.9 27.21 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 121.086 1.766 . . . . 0.0 114.241 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -63.36 -9.63 13.0 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.336 1.854 . . . . 0.0 115.794 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -151.54 -31.25 0.16 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -167.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.9 m -58.9 -34.25 71.46 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.246 1.019 . . . . 0.0 111.497 167.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -144.14 12.61 1.6 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.54 1.136 . . . . 0.0 113.751 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 62.91 35.44 13.44 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.976 1.311 . . . . 0.0 114.528 174.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 C-N-CA 127.337 2.255 . . . . 0.0 114.912 -178.868 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -41.44 104.45 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.715 2.006 . . . . 0.0 112.125 170.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.3 t0 36.7 43.56 0.28 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.131 2.173 . . . . 0.0 113.544 -168.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.97 -21.67 0.03 OUTLIER 'General case' 0 C--O 1.249 1.042 0 C-N-CA 128.645 2.778 . . . . 0.0 117.374 -169.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -52.01 -53.04 46.51 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.454 1.479 . . . . 0.0 113.346 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -82.09 0.63 39.71 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 -176.1 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.9 -25.06 68.14 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.197 0.908 . . . . 0.0 112.628 176.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.2 -59.77 3.16 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.827 1.651 . . . . 0.0 109.964 163.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.61 6.11 0.1 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.441 2.296 . . . . 0.0 117.177 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.1 -26.14 13.14 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.755 1.222 . . . . 0.0 113.196 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.48 -43.47 93.26 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.712 1.142 . . . . 0.0 110.068 161.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.09 -14.86 7.57 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.302 1.441 . . . . 0.0 113.639 173.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 t -96.7 -13.55 22.67 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.181 1.392 . . . . 0.0 112.982 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.62 -57.39 0.01 OUTLIER Glycine 0 C--N 1.346 1.125 0 O-C-N 120.364 -1.46 . . . . 0.0 114.951 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.6 -18.44 53.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.988 1.106 . . . . 0.0 113.988 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -34.02 -43.26 0.14 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.786 2.034 . . . . 0.0 114.605 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -58.5 -18.91 32.92 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.249 1.42 . . . . 0.0 114.093 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.0 18.06 10.07 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.504 1.522 . . . . 0.0 112.55 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -130.42 -66.68 0.76 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.525 1.53 . . . . 0.0 110.289 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 2.5 pp 34.48 -5.1 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.217 1 C-N-CA 131.965 4.106 . . . . 0.0 121.178 -170.967 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.75 -53.1 0.02 OUTLIER Pre-proline 0 CA--C 1.551 0.997 0 CA-C-O 116.529 -1.7 . . . . 0.0 114.223 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -59.06 -38.51 86.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 122.776 2.317 . . . . 0.0 114.328 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.65 -31.55 36.42 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -78.48 44.36 0.51 Allowed 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.304 -1.498 . . . . 0.0 113.197 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -129.31 10.03 5.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.756 1.622 . . . . 0.0 113.266 -169.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.01 -59.96 1.1 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.217 -0.897 . . . . 0.0 112.107 172.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.37 -47.57 56.09 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.935 1.698 . . . . 0.0 114.403 -173.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -67.77 -2.13 6.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -151.2 -36.03 0.14 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 -169.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.3 m -62.27 -32.57 73.3 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.263 1.025 . . . . 0.0 111.808 168.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -143.48 11.33 1.69 Allowed 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 62.09 34.24 16.54 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.182 1.393 . . . . 0.0 114.534 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.826 2.45 . . . . 0.0 114.827 -179.76 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 CA--C 1.542 0.64 0 N-CA-C 118.231 2.678 . . . . 0.0 118.231 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -37.86 101.77 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.198 1.799 . . . . 0.0 112.037 170.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t0 31.47 44.47 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.897 2.479 . . . . 0.0 115.022 -168.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.33 6.93 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -174.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -80.52 -54.03 6.04 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.848 1.204 . . . . 0.0 112.017 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER -81.74 -1.69 48.02 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.397 -0.814 . . . . 0.0 112.878 -178.801 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -57.38 -27.42 62.29 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -80.68 -50.65 9.64 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.4 1.48 . . . . 0.0 110.429 166.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.96 -10.24 1.71 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.06 -23.87 35.6 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.011 -1.681 . . . . 0.0 113.814 167.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.65 -41.11 94.32 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.881 1.219 . . . . 0.0 111.087 164.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.26 -7.04 3.65 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.829 1.652 . . . . 0.0 112.924 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 t -104.15 -6.63 20.84 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.027 1.331 . . . . 0.0 113.676 173.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.72 -56.88 0.01 OUTLIER Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.815 -1.178 . . . . 0.0 115.681 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.48 -13.93 59.89 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.482 1.141 . . . . 0.0 113.767 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -33.95 -42.18 0.12 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 127.636 2.374 . . . . 0.0 114.947 171.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -57.5 -20.2 29.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.041 1.736 . . . . 0.0 113.915 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -123.27 16.73 9.84 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.12 1.768 . . . . 0.0 111.713 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -128.48 -78.69 0.57 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.856 1.662 . . . . 0.0 109.265 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.328 2.8 pp 38.0 -5.58 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 131.06 3.744 . . . . 0.0 120.464 -171.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.82 -49.99 0.02 OUTLIER Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.748 1.619 . . . . 0.0 114.068 170.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -57.29 -30.67 88.44 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 123.421 2.747 . . . . 0.0 115.641 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -107.32 -15.88 14.53 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.446 1.098 . . . . 0.0 112.727 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -72.73 42.52 0.1 Allowed 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.339 -1.476 . . . . 0.0 111.85 166.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.435 ' H ' ' C ' ' A' ' 24' ' ' ALA . 18.0 t-105 -148.06 20.12 1.11 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.974 2.11 . . . . 0.0 111.759 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.4 m -129.96 -77.96 0.54 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.245 1.018 . . . . 0.0 110.769 -174.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 t -49.34 -46.26 46.66 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.293 1.037 . . . . 0.0 113.558 -173.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -67.93 -1.61 5.97 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.909 2.084 . . . . 0.0 115.804 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -150.0 -37.07 0.15 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -174.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.9 m -59.69 -26.79 65.87 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.626 1.17 . . . . 0.0 112.252 171.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -139.9 13.53 2.47 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.533 1.133 . . . . 0.0 113.757 165.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 65.47 28.4 11.55 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.712 1.605 . . . . 0.0 114.949 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 C-N-CA 128.376 2.67 . . . . 0.0 115.082 -177.858 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 116.677 2.102 . . . . 0.0 116.677 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -39.13 108.91 0.09 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.095 1.758 . . . . 0.0 112.087 170.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.4 t0 35.92 43.76 0.21 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.702 2.401 . . . . 0.0 113.927 -171.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.24 -27.68 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.276 2.631 . . . . 0.0 116.303 -167.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -47.08 -48.78 22.52 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.171 1.789 . . . . 0.0 114.597 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER -86.09 -0.09 54.78 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -179.374 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -63.05 -17.9 62.76 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -173.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -97.16 -41.66 8.21 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.11 1.364 . . . . 0.0 110.831 167.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 t -56.74 -11.33 1.33 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.83 -32.9 60.01 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 119.734 -1.854 . . . . 0.0 113.459 165.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.76 -40.17 87.27 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.692 1.133 . . . . 0.0 111.294 170.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -59.65 -11.27 4.65 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.459 1.504 . . . . 0.0 113.087 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.8 t -102.07 -14.8 16.97 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.427 1.091 . . . . 0.0 113.773 173.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.88 -65.73 0.03 OUTLIER Glycine 0 N--CA 1.474 1.231 0 O-C-N 120.733 -1.229 . . . . 0.0 114.474 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.46 -11.73 25.87 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -35.05 -42.34 0.17 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.803 2.041 . . . . 0.0 114.426 168.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -54.66 -20.65 8.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.998 1.719 . . . . 0.0 114.245 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -124.23 16.31 9.1 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.896 1.679 . . . . 0.0 111.927 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -130.87 -69.87 0.63 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.909 1.684 . . . . 0.0 109.768 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 2.2 pp 34.52 -7.95 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 131.639 3.976 . . . . 0.0 121.422 -169.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.14 -51.63 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.8 0 CA-C-O 116.41 -1.757 . . . . 0.0 114.578 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.01 -25.93 56.36 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 123.284 2.656 . . . . 0.0 114.905 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.43 -12.84 16.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.669 1.188 . . . . 0.0 113.421 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -79.4 40.04 0.42 Allowed 'General case' 0 N--CA 1.481 1.115 0 O-C-N 119.293 -2.129 . . . . 0.0 112.223 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -145.38 28.47 1.2 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.398 2.279 . . . . 0.0 110.866 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.6 p -136.31 -75.21 0.43 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.847 1.259 . . . . 0.0 111.901 -170.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -51.76 -44.99 63.57 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.206 1.402 . . . . 0.0 112.711 -173.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -72.02 0.39 9.54 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.207 1.803 . . . . 0.0 115.739 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.04 -34.38 0.13 Allowed 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -172.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 m -61.15 -28.65 69.27 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.535 1.061 . . . . 0.0 111.592 168.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -143.94 7.91 1.44 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 171.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 65.7 30.43 10.31 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.058 2.543 . . . . 0.0 115.879 -177.892 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 117.902 2.556 . . . . 0.0 117.902 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -37.62 106.36 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.632 1.973 . . . . 0.0 112.539 169.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.0 t0 33.82 43.25 0.06 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 128.275 2.63 . . . . 0.0 114.486 -170.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.93 3.99 0.15 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.092 2.157 . . . . 0.0 116.486 -173.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -79.33 -52.24 8.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 120.052 1.296 . . . . 0.0 111.24 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.295 0.0 OUTLIER -79.22 -5.51 54.47 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.52 -0.738 . . . . 0.0 112.858 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -24.86 61.05 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -92.95 -42.43 9.47 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.59 1.156 . . . . 0.0 110.668 169.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.83 -13.84 7.28 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.68 -22.41 59.95 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 119.741 -1.849 . . . . 0.0 113.804 166.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -70.94 -44.38 66.25 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.739 1.154 . . . . 0.0 111.738 164.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.56 -8.03 8.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.886 1.274 . . . . 0.0 113.789 -175.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -110.09 -5.2 15.45 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.838 1.655 . . . . 0.0 113.547 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.39 -64.37 0.01 OUTLIER Glycine 0 N--CA 1.474 1.182 0 O-C-N 120.693 -1.255 . . . . 0.0 114.293 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.63 -12.87 57.05 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 174.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -32.78 -44.32 0.11 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.515 2.326 . . . . 0.0 115.199 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 m -58.1 -22.05 48.99 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.672 1.589 . . . . 0.0 113.75 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -112.97 10.49 18.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.155 1.782 . . . . 0.0 111.868 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -128.63 -76.88 0.56 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.062 1.745 . . . . 0.0 109.329 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.331 2.6 pp 37.0 -4.73 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 130.781 3.632 . . . . 0.0 120.676 -169.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.44 -47.64 0.02 OUTLIER Pre-proline 0 CA--C 1.551 1.006 0 CA-C-O 116.604 -1.665 . . . . 0.0 114.766 169.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -59.45 -22.91 68.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 123.622 2.881 . . . . 0.0 115.259 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.4 -19.03 9.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.403 1.081 . . . . 0.0 113.345 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -73.29 46.57 0.19 Allowed 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.315 -1.491 . . . . 0.0 112.664 173.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -147.58 30.76 0.9 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.255 2.222 . . . . 0.0 111.141 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.5 p -135.38 -82.61 0.41 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.544 1.138 . . . . 0.0 111.561 -171.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.4 t -51.04 -45.21 61.23 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.885 1.674 . . . . 0.0 112.564 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -57.79 -15.45 8.27 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.87 2.068 . . . . 0.0 115.886 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -143.85 -41.11 0.28 Allowed 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -167.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -57.19 -32.15 66.16 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.127 1.371 . . . . 0.0 112.201 175.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -143.61 10.22 1.61 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 63.1 32.54 15.18 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.318 1.447 . . . . 0.0 114.119 177.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.548 2.739 . . . . 0.0 116.154 -176.48 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p . . . . . 0 CA--C 1.546 0.798 0 N-CA-C 120.27 3.434 . . . . 0.0 120.27 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -32.84 104.71 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 127.26 2.224 . . . . 0.0 112.681 168.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.9 t0 33.74 45.34 0.1 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.179 2.592 . . . . 0.0 114.871 -171.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.42 10.78 1.01 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.705 2.002 . . . . 0.0 116.113 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -86.02 -59.78 2.2 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.464 1.106 . . . . 0.0 111.33 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.261 0.0 OUTLIER -75.82 -2.18 28.73 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.046 -1.033 . . . . 0.0 113.722 -177.443 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 t -52.06 -36.8 51.63 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.371 1.868 . . . . 0.0 113.497 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.99 -50.39 13.28 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.21 1.404 . . . . 0.0 110.259 169.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -58.08 -1.6 0.13 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.662 2.385 . . . . 0.0 116.572 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.64 -23.98 18.81 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.19 -1.569 . . . . 0.0 113.555 167.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -57.6 -41.51 81.39 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 120.129 1.331 . . . . 0.0 110.553 162.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.88 -8.87 5.57 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.892 1.677 . . . . 0.0 113.223 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -109.01 -15.57 14.33 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.996 1.318 . . . . 0.0 113.553 174.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.07 -65.78 0.08 OUTLIER Glycine 0 N--CA 1.473 1.156 0 O-C-N 120.996 -1.065 . . . . 0.0 114.001 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.24 -13.4 49.06 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -34.9 -43.47 0.19 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.13 2.172 . . . . 0.0 114.852 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -56.61 -20.79 22.85 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.702 1.601 . . . . 0.0 114.194 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -124.48 17.77 8.9 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.332 1.853 . . . . 0.0 111.895 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -127.82 -80.21 0.59 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.683 1.593 . . . . 0.0 109.05 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 2.6 pp 38.28 -4.39 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 130.893 3.677 . . . . 0.0 120.529 -171.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.87 -47.87 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.95 0 CA-C-O 116.705 -1.617 . . . . 0.0 114.114 169.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.04 -24.9 68.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 123.574 2.85 . . . . 0.0 115.519 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -114.35 -17.18 11.86 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.313 1.045 . . . . 0.0 113.214 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -71.38 27.87 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 O-C-N 119.92 -1.738 . . . . 0.0 113.031 171.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.48 ' H ' ' C ' ' A' ' 24' ' ' ALA . 60.2 t-105 -134.78 19.69 3.53 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.799 2.84 . . . . 0.0 111.018 -173.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 m -128.31 -71.45 0.65 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.64 1.176 . . . . 0.0 110.701 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -51.9 -44.63 63.87 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -171.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -69.95 -2.7 13.24 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -150.72 -35.01 0.15 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -170.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.4 m -58.35 -30.15 66.51 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.837 1.199 . . . . 0.0 111.808 171.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.52 7.77 1.52 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.986 1.314 . . . . 0.0 113.792 173.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 65.32 35.22 7.72 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.411 1.484 . . . . 0.0 114.481 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 0 C-N-CA 127.672 2.389 . . . . 0.0 115.87 -177.636 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -37.51 101.41 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.172 2.189 . . . . 0.0 112.211 168.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t0 35.91 40.84 0.1 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.434 2.294 . . . . 0.0 114.695 -169.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.08 8.6 1.06 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.744 2.128 . . . . 0.0 116.744 -172.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -78.79 -56.46 4.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.344 1.429 . . . . 0.0 111.619 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -78.81 -0.97 32.64 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.131 -0.981 . . . . 0.0 113.377 -177.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 t -54.84 -32.41 60.52 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.906 1.282 . . . . 0.0 113.06 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -78.83 -50.7 10.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.858 1.263 . . . . 0.0 110.055 169.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.85 -12.89 2.17 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -80.23 -28.48 38.53 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.088 -1.633 . . . . 0.0 113.324 168.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -63.2 -41.23 99.13 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.724 1.147 . . . . 0.0 110.933 167.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.52 -20.29 44.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.477 1.111 . . . . 0.0 113.12 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.1 t -80.63 -32.16 36.31 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.5 -55.27 0.04 OUTLIER Glycine 0 CA--C 1.534 1.256 0 N-CA-C 115.494 0.958 . . . . 0.0 115.494 -169.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.39 -13.02 57.7 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.874 1.337 . . . . 0.0 113.648 176.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ptt85 -33.39 -41.67 0.09 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.075 2.15 . . . . 0.0 114.719 168.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -56.25 -21.22 22.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.105 1.762 . . . . 0.0 113.885 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -119.21 13.96 12.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.02 1.728 . . . . 0.0 112.22 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -131.66 -75.45 0.52 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.912 1.285 . . . . 0.0 110.424 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.335 3.1 pp 38.78 -6.78 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 130.643 3.577 . . . . 0.0 120.387 -168.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.0 -45.12 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.032 0 CA-C-O 116.681 -1.628 . . . . 0.0 114.614 172.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.09 -21.61 59.97 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.584 2.856 . . . . 0.0 115.707 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -116.36 -24.91 7.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.0 1.32 . . . . 0.0 112.802 -177.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -70.74 30.66 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.063 0 O-C-N 119.793 -1.817 . . . . 0.0 113.897 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.464 ' H ' ' C ' ' A' ' 24' ' ' ALA . 60.9 t-105 -136.67 24.1 3.13 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 129.734 3.214 . . . . 0.0 111.12 -175.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.8 m -133.62 -74.78 0.48 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.21 1.004 . . . . 0.0 111.122 -176.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.8 t -51.53 -49.99 60.88 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.187 -0.946 . . . . 0.0 113.281 -171.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -71.73 5.09 2.7 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.748 1.619 . . . . 0.0 115.344 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -139.97 -43.84 0.43 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.7 m -58.95 -29.99 67.55 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.828 1.251 . . . . 0.0 112.116 175.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -141.87 16.56 2.13 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 169.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 62.68 23.14 13.77 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.608 1.563 . . . . 0.0 115.022 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 129.838 3.255 . . . . 0.0 114.863 178.456 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.086 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m 56.73 31.47 19.43 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 160.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -40.01 103.8 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.933 1.693 . . . . 0.0 112.267 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.5 t0 33.97 42.26 0.05 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.8 2.44 . . . . 0.0 114.748 -168.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.67 9.12 1.04 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 -173.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -80.82 -59.32 2.72 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.832 1.196 . . . . 0.0 111.416 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER -76.52 -1.66 28.41 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.146 -0.971 . . . . 0.0 113.446 -176.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -27.14 55.21 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.35 1.06 . . . . 0.0 113.301 173.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -73.15 -60.71 2.11 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.527 1.531 . . . . 0.0 110.106 163.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -56.24 -15.06 3.31 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 116.773 2.138 . . . . 0.0 116.773 -171.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.3 -28.38 61.15 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 119.931 -1.731 . . . . 0.0 113.888 169.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.37 -45.24 84.87 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.779 1.172 . . . . 0.0 110.796 163.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.94 -22.75 67.05 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.365 0.666 . . . . 0.0 112.102 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.6 t -75.86 -32.5 59.76 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.564 1.146 . . . . 0.0 113.812 171.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -132.66 -60.45 0.08 OUTLIER Glycine 0 N--CA 1.475 1.288 0 N-CA-C 115.493 0.957 . . . . 0.0 115.493 -172.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.09 -15.32 44.28 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 ptt85 -34.74 -41.8 0.14 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.502 1.921 . . . . 0.0 114.777 170.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -56.06 -20.76 18.36 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.783 1.633 . . . . 0.0 113.877 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -122.05 15.05 10.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.187 1.795 . . . . 0.0 111.907 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -130.15 -75.2 0.54 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.993 1.717 . . . . 0.0 109.475 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.322 2.6 pp 36.37 -4.96 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 131.21 3.804 . . . . 0.0 120.63 -169.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.46 -50.81 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 116.571 -1.68 . . . . 0.0 114.067 169.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.11 -23.09 59.38 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 123.598 2.866 . . . . 0.0 115.575 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.38 -13.96 12.24 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.439 1.095 . . . . 0.0 113.092 176.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -76.18 55.81 0.98 Allowed 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.391 -1.443 . . . . 0.0 111.048 174.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -146.15 2.02 0.87 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.494 1.917 . . . . 0.0 113.081 -165.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.44 -68.36 0.58 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.301 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.9 t -47.37 -46.01 25.42 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 121.637 2.017 . . . . 0.0 114.462 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -61.86 -10.51 9.44 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.854 2.062 . . . . 0.0 115.757 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -151.35 -35.31 0.14 Allowed 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 -166.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.6 m -59.49 -32.99 70.78 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.69 1.196 . . . . 0.0 111.694 170.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -141.24 8.62 2.04 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 61.61 38.17 15.63 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.221 1.408 . . . . 0.0 114.375 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 C-N-CA 128.024 2.53 . . . . 0.0 115.972 179.475 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' H3 ' ' CD ' ' A' ' 11' ' ' GLU . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m 66.85 25.78 9.47 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 141.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -32.28 106.56 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.796 2.039 . . . . 0.0 112.801 170.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.4 t0 33.75 41.98 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.479 2.712 . . . . 0.0 115.259 -171.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.04 -0.67 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.861 2.064 . . . . 0.0 116.33 -170.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -69.57 -55.07 11.16 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.764 -1.21 . . . . 0.0 110.631 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.27 0.0 OUTLIER -79.46 -8.6 59.24 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.238 -0.887 . . . . 0.0 113.315 -178.532 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 t -60.93 -26.06 67.22 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.451 1.478 . . . . 0.0 113.786 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -77.41 -51.76 10.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.368 1.067 . . . . 0.0 110.537 167.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.32 -11.61 0.83 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.559 1.944 . . . . 0.0 115.188 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' CD ' ' H3 ' ' A' ' 1' ' ' GLY . 3.0 tt0 -64.55 -41.73 96.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.639 1.976 . . . . 0.0 111.606 167.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.51 -36.78 85.31 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.167 0.987 . . . . 0.0 112.298 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.73 -8.99 7.72 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.58 1.552 . . . . 0.0 113.016 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -100.92 -7.53 23.34 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.334 1.054 . . . . 0.0 113.815 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.91 -59.41 0.01 OUTLIER Glycine 0 N--CA 1.475 1.283 0 O-C-N 120.676 -1.265 . . . . 0.0 115.579 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 -12.94 56.98 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 118.466 1.133 . . . . 0.0 113.815 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -34.8 -42.77 0.16 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.951 2.1 . . . . 0.0 114.441 168.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 m -57.73 -17.87 17.87 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.519 1.927 . . . . 0.0 113.658 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -123.17 14.16 9.73 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.367 1.867 . . . . 0.0 111.512 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -133.31 -72.33 0.51 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.44 1.896 . . . . 0.0 110.102 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.338 2.5 pp 33.17 -2.53 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 131.462 3.905 . . . . 0.0 121.059 -165.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.73 -48.15 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.94 0 CA-C-O 116.571 -1.681 . . . . 0.0 114.647 172.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.84 -40.52 83.6 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 123.118 2.545 . . . . 0.0 114.57 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -90.45 -25.84 20.13 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.865 0.866 . . . . 0.0 112.336 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -74.02 44.34 0.18 Allowed 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.007 -1.683 . . . . 0.0 112.066 171.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.42 ' H ' ' C ' ' A' ' 24' ' ' ALA . 54.8 t-105 -140.55 14.01 2.35 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.381 2.672 . . . . 0.0 111.474 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.0 m -133.63 -66.54 0.64 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.571 1.148 . . . . 0.0 112.856 -174.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.5 t -54.47 -42.63 70.88 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.269 -1.52 . . . . 0.0 114.324 -167.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -84.51 5.76 26.31 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.881 1.272 . . . . 0.0 114.245 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.47 -29.64 0.43 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -175.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.8 m -62.85 -34.39 77.25 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.744 1.156 . . . . 0.0 111.47 165.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.9 9.88 1.01 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 61.07 36.03 18.55 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 C-N-CA 127.04 2.136 . . . . 0.0 114.826 177.578 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.156 0 CA-C-O 118.806 -0.997 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m 66.14 163.2 0.17 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.506 2.322 . . . . 0.0 114.984 -176.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -159.52 99.53 1.44 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.724 2.01 . . . . 0.0 105.964 169.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.6 t0 36.71 50.94 0.87 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.186 1.795 . . . . 0.0 114.254 -169.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.63 11.51 0.9 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -91.64 -58.44 2.42 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.83 1.195 . . . . 0.0 112.667 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -77.55 -3.67 41.83 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -177.225 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -56.09 -37.2 69.05 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.901 1.28 . . . . 0.0 113.126 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.69 -50.59 64.34 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.685 1.194 . . . . 0.0 110.375 166.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -62.29 7.07 0.07 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.387 2.275 . . . . 0.0 116.313 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -110.21 -14.53 14.17 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.609 -1.307 . . . . 0.0 113.523 165.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -62.41 -41.83 98.98 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.773 1.169 . . . . 0.0 110.493 156.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.87 -22.31 24.76 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.423 1.089 . . . . 0.0 112.681 172.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -86.05 -14.1 45.4 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.545 1.138 . . . . 0.0 113.78 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.55 -56.8 0.01 OUTLIER Glycine 0 CA--C 1.535 1.342 0 CA-C-N 119.72 1.145 . . . . 0.0 115.719 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.34 -13.23 36.74 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -34.08 -41.73 0.11 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.219 2.208 . . . . 0.0 114.714 169.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -54.86 -21.69 12.2 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.134 1.774 . . . . 0.0 114.083 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -119.17 15.03 13.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.057 1.743 . . . . 0.0 111.863 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -132.63 -70.77 0.54 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.124 1.37 . . . . 0.0 110.765 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.341 2.7 pp 35.34 -3.28 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 131.011 3.724 . . . . 0.0 120.558 -166.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.98 -47.28 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 CA-C-O 116.587 -1.673 . . . . 0.0 114.377 170.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.47 -41.07 81.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 123.16 2.574 . . . . 0.0 114.936 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -93.21 -27.34 16.92 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.843 0.857 . . . . 0.0 112.529 177.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -72.2 37.56 0.07 Allowed 'General case' 0 N--CA 1.481 1.089 0 O-C-N 120.002 -1.686 . . . . 0.0 113.181 170.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.458 ' H ' ' C ' ' A' ' 24' ' ' ALA . 28.7 t-105 -138.77 15.16 2.7 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 128.84 2.856 . . . . 0.0 112.177 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 m -127.46 -76.89 0.57 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.331 1.053 . . . . 0.0 110.775 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.8 t -52.05 -46.69 65.19 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.232 -0.918 . . . . 0.0 113.243 -172.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -62.73 -8.18 6.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.684 1.994 . . . . 0.0 115.162 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -142.6 -40.45 0.34 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -171.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.2 m -57.13 -33.73 67.67 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.76 1.224 . . . . 0.0 112.016 172.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -144.28 15.51 1.67 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 63.1 30.11 16.16 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.208 1.403 . . . . 0.0 114.483 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 127.902 2.481 . . . . 0.0 115.067 -174.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p 48.52 20.59 0.32 Allowed 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 120.736 3.606 . . . . 0.0 120.736 149.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -35.48 112.7 0.17 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.284 2.233 . . . . 0.0 113.588 175.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 t0 34.0 41.28 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.704 2.802 . . . . 0.0 114.676 -171.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.85 13.66 2.18 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.682 1.993 . . . . 0.0 116.082 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -94.56 -51.03 4.93 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.669 1.122 . . . . 0.0 110.882 175.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -76.45 -3.73 38.75 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.162 -0.961 . . . . 0.0 113.584 -177.643 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -60.7 -30.67 70.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.201 1.801 . . . . 0.0 112.341 170.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.42 -58.93 5.06 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.652 1.181 . . . . 0.0 109.274 164.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -61.04 6.57 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.694 2.397 . . . . 0.0 116.883 -170.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.255 2.4 pt-20 -99.4 -26.62 14.08 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.278 1.431 . . . . 0.0 112.222 172.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.18 -43.74 98.4 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.511 1.051 . . . . 0.0 110.71 159.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.16 -1.75 2.43 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.924 1.69 . . . . 0.0 113.231 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -111.07 -6.06 14.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.026 1.33 . . . . 0.0 113.306 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.83 -57.46 0.01 OUTLIER Glycine 0 N--CA 1.472 1.091 0 O-C-N 120.999 -1.063 . . . . 0.0 114.942 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -17.07 62.7 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -34.87 -42.87 0.17 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.222 2.209 . . . . 0.0 114.789 171.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -55.87 -20.95 17.58 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.217 1.807 . . . . 0.0 113.841 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -124.55 17.28 8.87 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.196 1.799 . . . . 0.0 111.808 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -131.52 -75.83 0.52 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.199 1.799 . . . . 0.0 109.64 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.343 2.8 pp 35.69 -2.08 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 131.165 3.786 . . . . 0.0 121.058 -169.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.8 -43.94 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.076 0 CA-C-O 116.758 -1.591 . . . . 0.0 115.058 170.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -60.59 -19.81 61.74 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 123.627 2.884 . . . . 0.0 115.44 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.91 -26.3 4.83 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.636 1.174 . . . . 0.0 113.047 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.79 56.4 0.4 Allowed 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.126 -1.609 . . . . 0.0 111.807 169.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -146.6 5.72 0.92 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 128.282 2.633 . . . . 0.0 112.383 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.83 -70.4 0.58 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 118.176 -0.916 . . . . 0.0 112.351 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.81 -42.9 27.21 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 121.086 1.766 . . . . 0.0 114.241 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -63.36 -9.63 13.0 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.336 1.854 . . . . 0.0 115.794 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -151.54 -31.25 0.16 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -167.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.9 m -58.9 -34.25 71.46 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.246 1.019 . . . . 0.0 111.497 167.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -144.14 12.61 1.6 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.54 1.136 . . . . 0.0 113.751 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 62.91 35.44 13.44 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.976 1.311 . . . . 0.0 114.528 174.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 C-N-CA 127.337 2.255 . . . . 0.0 114.912 -178.868 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 66.66 30.72 8.09 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 143.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -41.44 104.45 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.715 2.006 . . . . 0.0 112.125 170.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.3 t0 36.7 43.56 0.28 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.131 2.173 . . . . 0.0 113.544 -168.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.97 -21.67 0.03 OUTLIER 'General case' 0 C--O 1.249 1.042 0 C-N-CA 128.645 2.778 . . . . 0.0 117.374 -169.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -52.01 -53.04 46.51 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.454 1.479 . . . . 0.0 113.346 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -82.09 0.63 39.71 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 -176.1 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.9 -25.06 68.14 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.197 0.908 . . . . 0.0 112.628 176.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.2 -59.77 3.16 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.827 1.651 . . . . 0.0 109.964 163.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.61 6.11 0.1 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.441 2.296 . . . . 0.0 117.177 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.1 -26.14 13.14 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.755 1.222 . . . . 0.0 113.196 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.48 -43.47 93.26 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.712 1.142 . . . . 0.0 110.068 161.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.09 -14.86 7.57 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.302 1.441 . . . . 0.0 113.639 173.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 t -96.7 -13.55 22.67 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.181 1.392 . . . . 0.0 112.982 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.62 -57.39 0.01 OUTLIER Glycine 0 C--N 1.346 1.125 0 O-C-N 120.364 -1.46 . . . . 0.0 114.951 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.6 -18.44 53.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.988 1.106 . . . . 0.0 113.988 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -34.02 -43.26 0.14 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.786 2.034 . . . . 0.0 114.605 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -58.5 -18.91 32.92 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.249 1.42 . . . . 0.0 114.093 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.0 18.06 10.07 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.504 1.522 . . . . 0.0 112.55 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -130.42 -66.68 0.76 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.525 1.53 . . . . 0.0 110.289 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 2.5 pp 34.48 -5.1 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.217 1 C-N-CA 131.965 4.106 . . . . 0.0 121.178 -170.967 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.75 -53.1 0.02 OUTLIER Pre-proline 0 CA--C 1.551 0.997 0 CA-C-O 116.529 -1.7 . . . . 0.0 114.223 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -59.06 -38.51 86.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 122.776 2.317 . . . . 0.0 114.328 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.65 -31.55 36.42 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -78.48 44.36 0.51 Allowed 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.304 -1.498 . . . . 0.0 113.197 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -129.31 10.03 5.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.756 1.622 . . . . 0.0 113.266 -169.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.01 -59.96 1.1 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.217 -0.897 . . . . 0.0 112.107 172.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.37 -47.57 56.09 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.935 1.698 . . . . 0.0 114.403 -173.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -67.77 -2.13 6.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -151.2 -36.03 0.14 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 -169.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.3 m -62.27 -32.57 73.3 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.263 1.025 . . . . 0.0 111.808 168.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -143.48 11.33 1.69 Allowed 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 62.09 34.24 16.54 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.182 1.393 . . . . 0.0 114.534 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.826 2.45 . . . . 0.0 114.827 -179.76 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.24 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m 54.1 28.8 9.36 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 118.231 2.678 . . . . 0.0 118.231 160.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -37.86 101.77 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.198 1.799 . . . . 0.0 112.037 170.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t0 31.47 44.47 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.897 2.479 . . . . 0.0 115.022 -168.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.33 6.93 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -174.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -80.52 -54.03 6.04 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.848 1.204 . . . . 0.0 112.017 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER -81.74 -1.69 48.02 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.397 -0.814 . . . . 0.0 112.878 -178.801 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -57.38 -27.42 62.29 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -80.68 -50.65 9.64 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.4 1.48 . . . . 0.0 110.429 166.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.96 -10.24 1.71 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.06 -23.87 35.6 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.011 -1.681 . . . . 0.0 113.814 167.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.65 -41.11 94.32 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.881 1.219 . . . . 0.0 111.087 164.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.26 -7.04 3.65 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.829 1.652 . . . . 0.0 112.924 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 t -104.15 -6.63 20.84 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.027 1.331 . . . . 0.0 113.676 173.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.72 -56.88 0.01 OUTLIER Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.815 -1.178 . . . . 0.0 115.681 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.48 -13.93 59.89 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.482 1.141 . . . . 0.0 113.767 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -33.95 -42.18 0.12 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 127.636 2.374 . . . . 0.0 114.947 171.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -57.5 -20.2 29.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.041 1.736 . . . . 0.0 113.915 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -123.27 16.73 9.84 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.12 1.768 . . . . 0.0 111.713 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -128.48 -78.69 0.57 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.856 1.662 . . . . 0.0 109.265 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.328 2.8 pp 38.0 -5.58 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 131.06 3.744 . . . . 0.0 120.464 -171.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.82 -49.99 0.02 OUTLIER Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.748 1.619 . . . . 0.0 114.068 170.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -57.29 -30.67 88.44 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 123.421 2.747 . . . . 0.0 115.641 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -107.32 -15.88 14.53 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.446 1.098 . . . . 0.0 112.727 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -72.73 42.52 0.1 Allowed 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.339 -1.476 . . . . 0.0 111.85 166.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.435 ' H ' ' C ' ' A' ' 24' ' ' ALA . 18.0 t-105 -148.06 20.12 1.11 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.974 2.11 . . . . 0.0 111.759 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.4 m -129.96 -77.96 0.54 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.245 1.018 . . . . 0.0 110.769 -174.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 t -49.34 -46.26 46.66 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.293 1.037 . . . . 0.0 113.558 -173.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -67.93 -1.61 5.97 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.909 2.084 . . . . 0.0 115.804 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -150.0 -37.07 0.15 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -174.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.9 m -59.69 -26.79 65.87 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.626 1.17 . . . . 0.0 112.252 171.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -139.9 13.53 2.47 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.533 1.133 . . . . 0.0 113.757 165.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 65.47 28.4 11.55 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.712 1.605 . . . . 0.0 114.949 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 C-N-CA 128.376 2.67 . . . . 0.0 115.082 -177.858 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.443 ' H3 ' ' CD ' ' A' ' 11' ' ' GLU . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 m 66.67 25.51 9.84 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.677 2.102 . . . . 0.0 116.677 144.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -39.13 108.91 0.09 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.095 1.758 . . . . 0.0 112.087 170.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.4 t0 35.92 43.76 0.21 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.702 2.401 . . . . 0.0 113.927 -171.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.24 -27.68 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.276 2.631 . . . . 0.0 116.303 -167.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -47.08 -48.78 22.52 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.171 1.789 . . . . 0.0 114.597 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER -86.09 -0.09 54.78 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -179.374 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -63.05 -17.9 62.76 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -173.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -97.16 -41.66 8.21 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.11 1.364 . . . . 0.0 110.831 167.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 t -56.74 -11.33 1.33 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' CD ' ' H3 ' ' A' ' 1' ' ' GLY . 6.8 pt-20 -75.83 -32.9 60.01 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 119.734 -1.854 . . . . 0.0 113.459 165.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.76 -40.17 87.27 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.692 1.133 . . . . 0.0 111.294 170.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -59.65 -11.27 4.65 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.459 1.504 . . . . 0.0 113.087 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.8 t -102.07 -14.8 16.97 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.427 1.091 . . . . 0.0 113.773 173.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.88 -65.73 0.03 OUTLIER Glycine 0 N--CA 1.474 1.231 0 O-C-N 120.733 -1.229 . . . . 0.0 114.474 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.46 -11.73 25.87 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -35.05 -42.34 0.17 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.803 2.041 . . . . 0.0 114.426 168.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -54.66 -20.65 8.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.998 1.719 . . . . 0.0 114.245 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -124.23 16.31 9.1 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.896 1.679 . . . . 0.0 111.927 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -130.87 -69.87 0.63 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.909 1.684 . . . . 0.0 109.768 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 2.2 pp 34.52 -7.95 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 131.639 3.976 . . . . 0.0 121.422 -169.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.14 -51.63 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.8 0 CA-C-O 116.41 -1.757 . . . . 0.0 114.578 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.01 -25.93 56.36 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 123.284 2.656 . . . . 0.0 114.905 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.43 -12.84 16.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.669 1.188 . . . . 0.0 113.421 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -79.4 40.04 0.42 Allowed 'General case' 0 N--CA 1.481 1.115 0 O-C-N 119.293 -2.129 . . . . 0.0 112.223 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -145.38 28.47 1.2 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.398 2.279 . . . . 0.0 110.866 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.6 p -136.31 -75.21 0.43 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.847 1.259 . . . . 0.0 111.901 -170.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -51.76 -44.99 63.57 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.206 1.402 . . . . 0.0 112.711 -173.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -72.02 0.39 9.54 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.207 1.803 . . . . 0.0 115.739 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.04 -34.38 0.13 Allowed 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -172.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 m -61.15 -28.65 69.27 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.535 1.061 . . . . 0.0 111.592 168.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -143.94 7.91 1.44 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 171.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 65.7 30.43 10.31 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.058 2.543 . . . . 0.0 115.879 -177.892 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 110.276 -1.129 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m 67.73 22.0 9.06 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 117.902 2.556 . . . . 0.0 117.902 148.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -37.62 106.36 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.632 1.973 . . . . 0.0 112.539 169.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.0 t0 33.82 43.25 0.06 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 128.275 2.63 . . . . 0.0 114.486 -170.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.93 3.99 0.15 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.092 2.157 . . . . 0.0 116.486 -173.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -79.33 -52.24 8.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 120.052 1.296 . . . . 0.0 111.24 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.295 0.0 OUTLIER -79.22 -5.51 54.47 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.52 -0.738 . . . . 0.0 112.858 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -24.86 61.05 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -92.95 -42.43 9.47 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.59 1.156 . . . . 0.0 110.668 169.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.83 -13.84 7.28 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.68 -22.41 59.95 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 119.741 -1.849 . . . . 0.0 113.804 166.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -70.94 -44.38 66.25 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.739 1.154 . . . . 0.0 111.738 164.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.56 -8.03 8.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.886 1.274 . . . . 0.0 113.789 -175.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -110.09 -5.2 15.45 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.838 1.655 . . . . 0.0 113.547 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.39 -64.37 0.01 OUTLIER Glycine 0 N--CA 1.474 1.182 0 O-C-N 120.693 -1.255 . . . . 0.0 114.293 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.63 -12.87 57.05 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 174.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -32.78 -44.32 0.11 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.515 2.326 . . . . 0.0 115.199 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 m -58.1 -22.05 48.99 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.672 1.589 . . . . 0.0 113.75 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -112.97 10.49 18.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.155 1.782 . . . . 0.0 111.868 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -128.63 -76.88 0.56 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.062 1.745 . . . . 0.0 109.329 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.331 2.6 pp 37.0 -4.73 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 130.781 3.632 . . . . 0.0 120.676 -169.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.44 -47.64 0.02 OUTLIER Pre-proline 0 CA--C 1.551 1.006 0 CA-C-O 116.604 -1.665 . . . . 0.0 114.766 169.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -59.45 -22.91 68.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 123.622 2.881 . . . . 0.0 115.259 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.4 -19.03 9.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.403 1.081 . . . . 0.0 113.345 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -73.29 46.57 0.19 Allowed 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.315 -1.491 . . . . 0.0 112.664 173.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -147.58 30.76 0.9 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.255 2.222 . . . . 0.0 111.141 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.5 p -135.38 -82.61 0.41 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.544 1.138 . . . . 0.0 111.561 -171.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.4 t -51.04 -45.21 61.23 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.885 1.674 . . . . 0.0 112.564 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -57.79 -15.45 8.27 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.87 2.068 . . . . 0.0 115.886 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -143.85 -41.11 0.28 Allowed 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -167.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -57.19 -32.15 66.16 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.127 1.371 . . . . 0.0 112.201 175.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -143.61 10.22 1.61 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 63.1 32.54 15.18 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.318 1.447 . . . . 0.0 114.119 177.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.548 2.739 . . . . 0.0 116.154 -176.48 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.126 0 CA-C-O 118.902 -0.943 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p 46.26 19.98 0.08 Allowed 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 120.27 3.434 . . . . 0.0 120.27 155.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -32.84 104.71 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 127.26 2.224 . . . . 0.0 112.681 168.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.9 t0 33.74 45.34 0.1 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.179 2.592 . . . . 0.0 114.871 -171.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.42 10.78 1.01 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.705 2.002 . . . . 0.0 116.113 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -86.02 -59.78 2.2 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.464 1.106 . . . . 0.0 111.33 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.261 0.0 OUTLIER -75.82 -2.18 28.73 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.046 -1.033 . . . . 0.0 113.722 -177.443 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 t -52.06 -36.8 51.63 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.371 1.868 . . . . 0.0 113.497 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.99 -50.39 13.28 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.21 1.404 . . . . 0.0 110.259 169.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -58.08 -1.6 0.13 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.662 2.385 . . . . 0.0 116.572 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.64 -23.98 18.81 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.19 -1.569 . . . . 0.0 113.555 167.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -57.6 -41.51 81.39 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 120.129 1.331 . . . . 0.0 110.553 162.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.88 -8.87 5.57 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.892 1.677 . . . . 0.0 113.223 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -109.01 -15.57 14.33 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.996 1.318 . . . . 0.0 113.553 174.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.07 -65.78 0.08 OUTLIER Glycine 0 N--CA 1.473 1.156 0 O-C-N 120.996 -1.065 . . . . 0.0 114.001 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.24 -13.4 49.06 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -34.9 -43.47 0.19 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.13 2.172 . . . . 0.0 114.852 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -56.61 -20.79 22.85 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.702 1.601 . . . . 0.0 114.194 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -124.48 17.77 8.9 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.332 1.853 . . . . 0.0 111.895 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -127.82 -80.21 0.59 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.683 1.593 . . . . 0.0 109.05 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 2.6 pp 38.28 -4.39 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 130.893 3.677 . . . . 0.0 120.529 -171.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.87 -47.87 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.95 0 CA-C-O 116.705 -1.617 . . . . 0.0 114.114 169.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.04 -24.9 68.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 123.574 2.85 . . . . 0.0 115.519 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -114.35 -17.18 11.86 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.313 1.045 . . . . 0.0 113.214 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -71.38 27.87 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 O-C-N 119.92 -1.738 . . . . 0.0 113.031 171.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.48 ' H ' ' C ' ' A' ' 24' ' ' ALA . 60.2 t-105 -134.78 19.69 3.53 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.799 2.84 . . . . 0.0 111.018 -173.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 m -128.31 -71.45 0.65 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.64 1.176 . . . . 0.0 110.701 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -51.9 -44.63 63.87 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -171.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -69.95 -2.7 13.24 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -150.72 -35.01 0.15 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -170.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.4 m -58.35 -30.15 66.51 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.837 1.199 . . . . 0.0 111.808 171.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.52 7.77 1.52 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.986 1.314 . . . . 0.0 113.792 173.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 65.32 35.22 7.72 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.411 1.484 . . . . 0.0 114.481 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 0 C-N-CA 127.672 2.389 . . . . 0.0 115.87 -177.636 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' H3 ' ' CD ' ' A' ' 11' ' ' GLU . . . . . . . . 0 N--CA 1.48 1.597 0 CA-C-O 119.198 -0.779 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p 50.83 35.69 12.82 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 154.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -37.51 101.41 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.172 2.189 . . . . 0.0 112.211 168.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t0 35.91 40.84 0.1 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.434 2.294 . . . . 0.0 114.695 -169.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.08 8.6 1.06 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.744 2.128 . . . . 0.0 116.744 -172.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -78.79 -56.46 4.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.344 1.429 . . . . 0.0 111.619 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -78.81 -0.97 32.64 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.131 -0.981 . . . . 0.0 113.377 -177.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 t -54.84 -32.41 60.52 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.906 1.282 . . . . 0.0 113.06 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -78.83 -50.7 10.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.858 1.263 . . . . 0.0 110.055 169.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.85 -12.89 2.17 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' CD ' ' H3 ' ' A' ' 1' ' ' GLY . 8.5 pt-20 -80.23 -28.48 38.53 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.088 -1.633 . . . . 0.0 113.324 168.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -63.2 -41.23 99.13 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.724 1.147 . . . . 0.0 110.933 167.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.52 -20.29 44.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.477 1.111 . . . . 0.0 113.12 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.1 t -80.63 -32.16 36.31 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.5 -55.27 0.04 OUTLIER Glycine 0 CA--C 1.534 1.256 0 N-CA-C 115.494 0.958 . . . . 0.0 115.494 -169.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.39 -13.02 57.7 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.874 1.337 . . . . 0.0 113.648 176.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ptt85 -33.39 -41.67 0.09 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.075 2.15 . . . . 0.0 114.719 168.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -56.25 -21.22 22.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.105 1.762 . . . . 0.0 113.885 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -119.21 13.96 12.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.02 1.728 . . . . 0.0 112.22 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -131.66 -75.45 0.52 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.912 1.285 . . . . 0.0 110.424 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.335 3.1 pp 38.78 -6.78 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 130.643 3.577 . . . . 0.0 120.387 -168.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.0 -45.12 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.032 0 CA-C-O 116.681 -1.628 . . . . 0.0 114.614 172.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.09 -21.61 59.97 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.584 2.856 . . . . 0.0 115.707 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -116.36 -24.91 7.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.0 1.32 . . . . 0.0 112.802 -177.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -70.74 30.66 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.063 0 O-C-N 119.793 -1.817 . . . . 0.0 113.897 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.464 ' H ' ' C ' ' A' ' 24' ' ' ALA . 60.9 t-105 -136.67 24.1 3.13 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 129.734 3.214 . . . . 0.0 111.12 -175.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.8 m -133.62 -74.78 0.48 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.21 1.004 . . . . 0.0 111.122 -176.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.8 t -51.53 -49.99 60.88 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.187 -0.946 . . . . 0.0 113.281 -171.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -71.73 5.09 2.7 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.748 1.619 . . . . 0.0 115.344 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -139.97 -43.84 0.43 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.7 m -58.95 -29.99 67.55 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.828 1.251 . . . . 0.0 112.116 175.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -141.87 16.56 2.13 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 169.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 62.68 23.14 13.77 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.608 1.563 . . . . 0.0 115.022 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 129.838 3.255 . . . . 0.0 114.863 178.456 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 CA--C 1.543 0.681 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -40.01 103.8 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.933 1.693 . . . . 0.0 112.267 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.5 t0 33.97 42.26 0.05 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.8 2.44 . . . . 0.0 114.748 -168.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.67 9.12 1.04 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 -173.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -80.82 -59.32 2.72 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.832 1.196 . . . . 0.0 111.416 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER -76.52 -1.66 28.41 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.146 -0.971 . . . . 0.0 113.446 -176.808 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -27.14 55.21 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.35 1.06 . . . . 0.0 113.301 173.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -73.15 -60.71 2.11 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.527 1.531 . . . . 0.0 110.106 163.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -56.24 -15.06 3.31 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 116.773 2.138 . . . . 0.0 116.773 -171.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.3 -28.38 61.15 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 119.931 -1.731 . . . . 0.0 113.888 169.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.37 -45.24 84.87 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.779 1.172 . . . . 0.0 110.796 163.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.94 -22.75 67.05 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.365 0.666 . . . . 0.0 112.102 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.6 t -75.86 -32.5 59.76 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.564 1.146 . . . . 0.0 113.812 171.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -132.66 -60.45 0.08 OUTLIER Glycine 0 N--CA 1.475 1.288 0 N-CA-C 115.493 0.957 . . . . 0.0 115.493 -172.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.09 -15.32 44.28 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 ptt85 -34.74 -41.8 0.14 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.502 1.921 . . . . 0.0 114.777 170.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -56.06 -20.76 18.36 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.783 1.633 . . . . 0.0 113.877 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -122.05 15.05 10.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.187 1.795 . . . . 0.0 111.907 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -130.15 -75.2 0.54 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.993 1.717 . . . . 0.0 109.475 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.322 2.6 pp 36.37 -4.96 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 131.21 3.804 . . . . 0.0 120.63 -169.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.46 -50.81 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 116.571 -1.68 . . . . 0.0 114.067 169.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.11 -23.09 59.38 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 123.598 2.866 . . . . 0.0 115.575 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.38 -13.96 12.24 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.439 1.095 . . . . 0.0 113.092 176.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -76.18 55.81 0.98 Allowed 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.391 -1.443 . . . . 0.0 111.048 174.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -146.15 2.02 0.87 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.494 1.917 . . . . 0.0 113.081 -165.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.44 -68.36 0.58 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.301 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.9 t -47.37 -46.01 25.42 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 121.637 2.017 . . . . 0.0 114.462 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -61.86 -10.51 9.44 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.854 2.062 . . . . 0.0 115.757 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -151.35 -35.31 0.14 Allowed 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 -166.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.6 m -59.49 -32.99 70.78 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.69 1.196 . . . . 0.0 111.694 170.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -141.24 8.62 2.04 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 61.61 38.17 15.63 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.221 1.408 . . . . 0.0 114.375 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 C-N-CA 128.024 2.53 . . . . 0.0 115.972 179.475 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -32.28 106.56 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.796 2.039 . . . . 0.0 112.801 170.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.4 t0 33.75 41.98 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.479 2.712 . . . . 0.0 115.259 -171.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.04 -0.67 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.861 2.064 . . . . 0.0 116.33 -170.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -69.57 -55.07 11.16 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.764 -1.21 . . . . 0.0 110.631 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.27 0.0 OUTLIER -79.46 -8.6 59.24 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.238 -0.887 . . . . 0.0 113.315 -178.532 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 t -60.93 -26.06 67.22 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.451 1.478 . . . . 0.0 113.786 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -77.41 -51.76 10.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.368 1.067 . . . . 0.0 110.537 167.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.32 -11.61 0.83 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.559 1.944 . . . . 0.0 115.188 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.55 -41.73 96.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.639 1.976 . . . . 0.0 111.606 167.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.51 -36.78 85.31 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.167 0.987 . . . . 0.0 112.298 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.73 -8.99 7.72 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.58 1.552 . . . . 0.0 113.016 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -100.92 -7.53 23.34 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.334 1.054 . . . . 0.0 113.815 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.91 -59.41 0.01 OUTLIER Glycine 0 N--CA 1.475 1.283 0 O-C-N 120.676 -1.265 . . . . 0.0 115.579 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 -12.94 56.98 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 118.466 1.133 . . . . 0.0 113.815 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -34.8 -42.77 0.16 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.951 2.1 . . . . 0.0 114.441 168.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 m -57.73 -17.87 17.87 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.519 1.927 . . . . 0.0 113.658 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -123.17 14.16 9.73 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.367 1.867 . . . . 0.0 111.512 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -133.31 -72.33 0.51 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.44 1.896 . . . . 0.0 110.102 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.338 2.5 pp 33.17 -2.53 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 131.462 3.905 . . . . 0.0 121.059 -165.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.73 -48.15 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.94 0 CA-C-O 116.571 -1.681 . . . . 0.0 114.647 172.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.84 -40.52 83.6 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 123.118 2.545 . . . . 0.0 114.57 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.45 -25.84 20.13 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.865 0.866 . . . . 0.0 112.336 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -74.02 44.34 0.18 Allowed 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.007 -1.683 . . . . 0.0 112.066 171.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -140.55 14.01 2.35 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.381 2.672 . . . . 0.0 111.474 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.0 m -133.63 -66.54 0.64 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.571 1.148 . . . . 0.0 112.856 -174.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.5 t -54.47 -42.63 70.88 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.269 -1.52 . . . . 0.0 114.324 -167.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -84.51 5.76 26.31 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.881 1.272 . . . . 0.0 114.245 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.47 -29.64 0.43 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -175.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.8 m -62.85 -34.39 77.25 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.744 1.156 . . . . 0.0 111.47 165.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.9 9.88 1.01 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 61.07 36.03 18.55 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 C-N-CA 127.04 2.136 . . . . 0.0 114.826 177.578 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 CA--C 1.546 0.793 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -159.52 99.53 1.44 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.724 2.01 . . . . 0.0 105.964 169.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.6 t0 36.71 50.94 0.87 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.186 1.795 . . . . 0.0 114.254 -169.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.63 11.51 0.9 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -91.64 -58.44 2.42 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.83 1.195 . . . . 0.0 112.667 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -77.55 -3.67 41.83 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -177.225 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -56.09 -37.2 69.05 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.901 1.28 . . . . 0.0 113.126 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.69 -50.59 64.34 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.685 1.194 . . . . 0.0 110.375 166.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -62.29 7.07 0.07 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.387 2.275 . . . . 0.0 116.313 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -110.21 -14.53 14.17 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.609 -1.307 . . . . 0.0 113.523 165.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' CD ' ' HE ' ' A' ' 20' ' ' ARG . 23.7 mt-10 -62.41 -41.83 98.98 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.773 1.169 . . . . 0.0 110.493 156.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.87 -22.31 24.76 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.423 1.089 . . . . 0.0 112.681 172.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -86.05 -14.1 45.4 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.545 1.138 . . . . 0.0 113.78 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.55 -56.8 0.01 OUTLIER Glycine 0 CA--C 1.535 1.342 0 CA-C-N 119.72 1.145 . . . . 0.0 115.719 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.34 -13.23 36.74 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -34.08 -41.73 0.11 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.219 2.208 . . . . 0.0 114.714 169.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -54.86 -21.69 12.2 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.134 1.774 . . . . 0.0 114.083 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -119.17 15.03 13.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.057 1.743 . . . . 0.0 111.863 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HE ' ' CD ' ' A' ' 12' ' ' GLU . 3.8 mpt_? -132.63 -70.77 0.54 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.124 1.37 . . . . 0.0 110.765 176.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.341 2.7 pp 35.34 -3.28 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 131.011 3.724 . . . . 0.0 120.558 -166.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.98 -47.28 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 CA-C-O 116.587 -1.673 . . . . 0.0 114.377 170.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.47 -41.07 81.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 123.16 2.574 . . . . 0.0 114.936 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.21 -27.34 16.92 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.843 0.857 . . . . 0.0 112.529 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -72.2 37.56 0.07 Allowed 'General case' 0 N--CA 1.481 1.089 0 O-C-N 120.002 -1.686 . . . . 0.0 113.181 170.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -138.77 15.16 2.7 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 128.84 2.856 . . . . 0.0 112.177 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 m -127.46 -76.89 0.57 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.331 1.053 . . . . 0.0 110.775 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.8 t -52.05 -46.69 65.19 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.232 -0.918 . . . . 0.0 113.243 -172.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -62.73 -8.18 6.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.684 1.994 . . . . 0.0 115.162 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -142.6 -40.45 0.34 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -171.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.2 m -57.13 -33.73 67.67 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.76 1.224 . . . . 0.0 112.016 172.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -144.28 15.51 1.67 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 63.1 30.11 16.16 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.208 1.403 . . . . 0.0 114.483 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 127.902 2.481 . . . . 0.0 115.067 -174.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p . . . . . 0 CA--C 1.554 1.131 0 N-CA-C 120.736 3.606 . . . . 0.0 120.736 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -35.48 112.7 0.17 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.284 2.233 . . . . 0.0 113.588 175.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 t0 34.0 41.28 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.704 2.802 . . . . 0.0 114.676 -171.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.85 13.66 2.18 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.682 1.993 . . . . 0.0 116.082 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -94.56 -51.03 4.93 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.669 1.122 . . . . 0.0 110.882 175.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -76.45 -3.73 38.75 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.162 -0.961 . . . . 0.0 113.584 -177.643 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -60.7 -30.67 70.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.201 1.801 . . . . 0.0 112.341 170.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.42 -58.93 5.06 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.652 1.181 . . . . 0.0 109.274 164.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -61.04 6.57 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.694 2.397 . . . . 0.0 116.883 -170.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.255 2.4 pt-20 -99.4 -26.62 14.08 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.278 1.431 . . . . 0.0 112.222 172.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.18 -43.74 98.4 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.511 1.051 . . . . 0.0 110.71 159.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.16 -1.75 2.43 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.924 1.69 . . . . 0.0 113.231 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -111.07 -6.06 14.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.026 1.33 . . . . 0.0 113.306 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.83 -57.46 0.01 OUTLIER Glycine 0 N--CA 1.472 1.091 0 O-C-N 120.999 -1.063 . . . . 0.0 114.942 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -17.07 62.7 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -34.87 -42.87 0.17 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.222 2.209 . . . . 0.0 114.789 171.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -55.87 -20.95 17.58 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.217 1.807 . . . . 0.0 113.841 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -124.55 17.28 8.87 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.196 1.799 . . . . 0.0 111.808 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -131.52 -75.83 0.52 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.199 1.799 . . . . 0.0 109.64 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.343 2.8 pp 35.69 -2.08 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 131.165 3.786 . . . . 0.0 121.058 -169.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.8 -43.94 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.076 0 CA-C-O 116.758 -1.591 . . . . 0.0 115.058 170.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -60.59 -19.81 61.74 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 123.627 2.884 . . . . 0.0 115.44 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.91 -26.3 4.83 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.636 1.174 . . . . 0.0 113.047 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.79 56.4 0.4 Allowed 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.126 -1.609 . . . . 0.0 111.807 169.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -146.6 5.72 0.92 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 128.282 2.633 . . . . 0.0 112.383 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.83 -70.4 0.58 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 118.176 -0.916 . . . . 0.0 112.351 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.81 -42.9 27.21 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 121.086 1.766 . . . . 0.0 114.241 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -63.36 -9.63 13.0 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.336 1.854 . . . . 0.0 115.794 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -151.54 -31.25 0.16 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -167.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.9 m -58.9 -34.25 71.46 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.246 1.019 . . . . 0.0 111.497 167.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -144.14 12.61 1.6 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.54 1.136 . . . . 0.0 113.751 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 62.91 35.44 13.44 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.976 1.311 . . . . 0.0 114.528 174.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 C-N-CA 127.337 2.255 . . . . 0.0 114.912 -178.868 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -41.44 104.45 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.715 2.006 . . . . 0.0 112.125 170.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.3 t0 36.7 43.56 0.28 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.131 2.173 . . . . 0.0 113.544 -168.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.97 -21.67 0.03 OUTLIER 'General case' 0 C--O 1.249 1.042 0 C-N-CA 128.645 2.778 . . . . 0.0 117.374 -169.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -52.01 -53.04 46.51 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.454 1.479 . . . . 0.0 113.346 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -82.09 0.63 39.71 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 -176.1 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.9 -25.06 68.14 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.197 0.908 . . . . 0.0 112.628 176.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.2 -59.77 3.16 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.827 1.651 . . . . 0.0 109.964 163.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.61 6.11 0.1 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.441 2.296 . . . . 0.0 117.177 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.1 -26.14 13.14 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.755 1.222 . . . . 0.0 113.196 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.48 -43.47 93.26 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.712 1.142 . . . . 0.0 110.068 161.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.09 -14.86 7.57 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.302 1.441 . . . . 0.0 113.639 173.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 t -96.7 -13.55 22.67 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.181 1.392 . . . . 0.0 112.982 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.62 -57.39 0.01 OUTLIER Glycine 0 C--N 1.346 1.125 0 O-C-N 120.364 -1.46 . . . . 0.0 114.951 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.6 -18.44 53.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.988 1.106 . . . . 0.0 113.988 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -34.02 -43.26 0.14 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.786 2.034 . . . . 0.0 114.605 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -58.5 -18.91 32.92 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.249 1.42 . . . . 0.0 114.093 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.0 18.06 10.07 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.504 1.522 . . . . 0.0 112.55 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -130.42 -66.68 0.76 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.525 1.53 . . . . 0.0 110.289 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 2.5 pp 34.48 -5.1 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.217 1 C-N-CA 131.965 4.106 . . . . 0.0 121.178 -170.967 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.75 -53.1 0.02 OUTLIER Pre-proline 0 CA--C 1.551 0.997 0 CA-C-O 116.529 -1.7 . . . . 0.0 114.223 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -59.06 -38.51 86.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 122.776 2.317 . . . . 0.0 114.328 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.65 -31.55 36.42 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -78.48 44.36 0.51 Allowed 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.304 -1.498 . . . . 0.0 113.197 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -129.31 10.03 5.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.756 1.622 . . . . 0.0 113.266 -169.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.01 -59.96 1.1 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.217 -0.897 . . . . 0.0 112.107 172.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.37 -47.57 56.09 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.935 1.698 . . . . 0.0 114.403 -173.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -67.77 -2.13 6.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -151.2 -36.03 0.14 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 -169.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.3 m -62.27 -32.57 73.3 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.263 1.025 . . . . 0.0 111.808 168.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -143.48 11.33 1.69 Allowed 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 62.09 34.24 16.54 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.182 1.393 . . . . 0.0 114.534 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.826 2.45 . . . . 0.0 114.827 -179.76 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 CA--C 1.542 0.64 0 N-CA-C 118.231 2.678 . . . . 0.0 118.231 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -37.86 101.77 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.198 1.799 . . . . 0.0 112.037 170.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t0 31.47 44.47 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.897 2.479 . . . . 0.0 115.022 -168.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.33 6.93 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -174.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -80.52 -54.03 6.04 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.848 1.204 . . . . 0.0 112.017 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER -81.74 -1.69 48.02 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.397 -0.814 . . . . 0.0 112.878 -178.801 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -57.38 -27.42 62.29 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -80.68 -50.65 9.64 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.4 1.48 . . . . 0.0 110.429 166.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.96 -10.24 1.71 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.06 -23.87 35.6 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.011 -1.681 . . . . 0.0 113.814 167.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.65 -41.11 94.32 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.881 1.219 . . . . 0.0 111.087 164.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.26 -7.04 3.65 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.829 1.652 . . . . 0.0 112.924 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 t -104.15 -6.63 20.84 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.027 1.331 . . . . 0.0 113.676 173.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.72 -56.88 0.01 OUTLIER Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.815 -1.178 . . . . 0.0 115.681 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.48 -13.93 59.89 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.482 1.141 . . . . 0.0 113.767 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -33.95 -42.18 0.12 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 127.636 2.374 . . . . 0.0 114.947 171.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -57.5 -20.2 29.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.041 1.736 . . . . 0.0 113.915 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -123.27 16.73 9.84 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.12 1.768 . . . . 0.0 111.713 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -128.48 -78.69 0.57 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.856 1.662 . . . . 0.0 109.265 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.328 2.8 pp 38.0 -5.58 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 131.06 3.744 . . . . 0.0 120.464 -171.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.82 -49.99 0.02 OUTLIER Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.748 1.619 . . . . 0.0 114.068 170.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -57.29 -30.67 88.44 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 123.421 2.747 . . . . 0.0 115.641 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.32 -15.88 14.53 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.446 1.098 . . . . 0.0 112.727 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -72.73 42.52 0.1 Allowed 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.339 -1.476 . . . . 0.0 111.85 166.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -148.06 20.12 1.11 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.974 2.11 . . . . 0.0 111.759 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.4 m -129.96 -77.96 0.54 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.245 1.018 . . . . 0.0 110.769 -174.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 t -49.34 -46.26 46.66 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.293 1.037 . . . . 0.0 113.558 -173.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -67.93 -1.61 5.97 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.909 2.084 . . . . 0.0 115.804 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -150.0 -37.07 0.15 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -174.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.9 m -59.69 -26.79 65.87 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.626 1.17 . . . . 0.0 112.252 171.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -139.9 13.53 2.47 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.533 1.133 . . . . 0.0 113.757 165.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 65.47 28.4 11.55 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.712 1.605 . . . . 0.0 114.949 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 C-N-CA 128.376 2.67 . . . . 0.0 115.082 -177.858 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 116.677 2.102 . . . . 0.0 116.677 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -39.13 108.91 0.09 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.095 1.758 . . . . 0.0 112.087 170.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.4 t0 35.92 43.76 0.21 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.702 2.401 . . . . 0.0 113.927 -171.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.24 -27.68 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.276 2.631 . . . . 0.0 116.303 -167.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -47.08 -48.78 22.52 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.171 1.789 . . . . 0.0 114.597 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER -86.09 -0.09 54.78 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -179.374 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -63.05 -17.9 62.76 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -173.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -97.16 -41.66 8.21 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.11 1.364 . . . . 0.0 110.831 167.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 t -56.74 -11.33 1.33 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.83 -32.9 60.01 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 119.734 -1.854 . . . . 0.0 113.459 165.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.76 -40.17 87.27 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.692 1.133 . . . . 0.0 111.294 170.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -59.65 -11.27 4.65 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.459 1.504 . . . . 0.0 113.087 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.8 t -102.07 -14.8 16.97 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.427 1.091 . . . . 0.0 113.773 173.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.88 -65.73 0.03 OUTLIER Glycine 0 N--CA 1.474 1.231 0 O-C-N 120.733 -1.229 . . . . 0.0 114.474 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.46 -11.73 25.87 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -35.05 -42.34 0.17 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.803 2.041 . . . . 0.0 114.426 168.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -54.66 -20.65 8.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.998 1.719 . . . . 0.0 114.245 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -124.23 16.31 9.1 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.896 1.679 . . . . 0.0 111.927 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -130.87 -69.87 0.63 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.909 1.684 . . . . 0.0 109.768 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 2.2 pp 34.52 -7.95 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 131.639 3.976 . . . . 0.0 121.422 -169.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.14 -51.63 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.8 0 CA-C-O 116.41 -1.757 . . . . 0.0 114.578 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.01 -25.93 56.36 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 123.284 2.656 . . . . 0.0 114.905 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.43 -12.84 16.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.669 1.188 . . . . 0.0 113.421 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -79.4 40.04 0.42 Allowed 'General case' 0 N--CA 1.481 1.115 0 O-C-N 119.293 -2.129 . . . . 0.0 112.223 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -145.38 28.47 1.2 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.398 2.279 . . . . 0.0 110.866 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.6 p -136.31 -75.21 0.43 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.847 1.259 . . . . 0.0 111.901 -170.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -51.76 -44.99 63.57 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.206 1.402 . . . . 0.0 112.711 -173.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -72.02 0.39 9.54 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.207 1.803 . . . . 0.0 115.739 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.04 -34.38 0.13 Allowed 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -172.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 m -61.15 -28.65 69.27 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.535 1.061 . . . . 0.0 111.592 168.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -143.94 7.91 1.44 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 171.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 65.7 30.43 10.31 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.058 2.543 . . . . 0.0 115.879 -177.892 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 117.902 2.556 . . . . 0.0 117.902 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -37.62 106.36 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.632 1.973 . . . . 0.0 112.539 169.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.0 t0 33.82 43.25 0.06 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 128.275 2.63 . . . . 0.0 114.486 -170.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.93 3.99 0.15 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.092 2.157 . . . . 0.0 116.486 -173.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -79.33 -52.24 8.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 120.052 1.296 . . . . 0.0 111.24 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.295 0.0 OUTLIER -79.22 -5.51 54.47 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.52 -0.738 . . . . 0.0 112.858 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -24.86 61.05 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -92.95 -42.43 9.47 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.59 1.156 . . . . 0.0 110.668 169.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.83 -13.84 7.28 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.68 -22.41 59.95 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 119.741 -1.849 . . . . 0.0 113.804 166.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -70.94 -44.38 66.25 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.739 1.154 . . . . 0.0 111.738 164.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.56 -8.03 8.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.886 1.274 . . . . 0.0 113.789 -175.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -110.09 -5.2 15.45 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.838 1.655 . . . . 0.0 113.547 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.39 -64.37 0.01 OUTLIER Glycine 0 N--CA 1.474 1.182 0 O-C-N 120.693 -1.255 . . . . 0.0 114.293 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.63 -12.87 57.05 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 174.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -32.78 -44.32 0.11 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.515 2.326 . . . . 0.0 115.199 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 m -58.1 -22.05 48.99 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.672 1.589 . . . . 0.0 113.75 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -112.97 10.49 18.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.155 1.782 . . . . 0.0 111.868 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -128.63 -76.88 0.56 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.062 1.745 . . . . 0.0 109.329 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.331 2.6 pp 37.0 -4.73 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 130.781 3.632 . . . . 0.0 120.676 -169.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.44 -47.64 0.02 OUTLIER Pre-proline 0 CA--C 1.551 1.006 0 CA-C-O 116.604 -1.665 . . . . 0.0 114.766 169.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -59.45 -22.91 68.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 123.622 2.881 . . . . 0.0 115.259 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.4 -19.03 9.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.403 1.081 . . . . 0.0 113.345 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -73.29 46.57 0.19 Allowed 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.315 -1.491 . . . . 0.0 112.664 173.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -147.58 30.76 0.9 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.255 2.222 . . . . 0.0 111.141 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.5 p -135.38 -82.61 0.41 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.544 1.138 . . . . 0.0 111.561 -171.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.4 t -51.04 -45.21 61.23 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.885 1.674 . . . . 0.0 112.564 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -57.79 -15.45 8.27 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.87 2.068 . . . . 0.0 115.886 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -143.85 -41.11 0.28 Allowed 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -167.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -57.19 -32.15 66.16 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.127 1.371 . . . . 0.0 112.201 175.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -143.61 10.22 1.61 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 63.1 32.54 15.18 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.318 1.447 . . . . 0.0 114.119 177.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.548 2.739 . . . . 0.0 116.154 -176.48 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p . . . . . 0 CA--C 1.546 0.798 0 N-CA-C 120.27 3.434 . . . . 0.0 120.27 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -32.84 104.71 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 127.26 2.224 . . . . 0.0 112.681 168.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.9 t0 33.74 45.34 0.1 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.179 2.592 . . . . 0.0 114.871 -171.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.42 10.78 1.01 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.705 2.002 . . . . 0.0 116.113 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -86.02 -59.78 2.2 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.464 1.106 . . . . 0.0 111.33 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.261 0.0 OUTLIER -75.82 -2.18 28.73 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.046 -1.033 . . . . 0.0 113.722 -177.443 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 t -52.06 -36.8 51.63 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.371 1.868 . . . . 0.0 113.497 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.99 -50.39 13.28 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.21 1.404 . . . . 0.0 110.259 169.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -58.08 -1.6 0.13 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.662 2.385 . . . . 0.0 116.572 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.64 -23.98 18.81 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.19 -1.569 . . . . 0.0 113.555 167.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -57.6 -41.51 81.39 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 120.129 1.331 . . . . 0.0 110.553 162.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.88 -8.87 5.57 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.892 1.677 . . . . 0.0 113.223 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -109.01 -15.57 14.33 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.996 1.318 . . . . 0.0 113.553 174.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.07 -65.78 0.08 OUTLIER Glycine 0 N--CA 1.473 1.156 0 O-C-N 120.996 -1.065 . . . . 0.0 114.001 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.24 -13.4 49.06 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -34.9 -43.47 0.19 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.13 2.172 . . . . 0.0 114.852 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -56.61 -20.79 22.85 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.702 1.601 . . . . 0.0 114.194 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -124.48 17.77 8.9 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.332 1.853 . . . . 0.0 111.895 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -127.82 -80.21 0.59 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.683 1.593 . . . . 0.0 109.05 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 2.6 pp 38.28 -4.39 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 130.893 3.677 . . . . 0.0 120.529 -171.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.87 -47.87 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.95 0 CA-C-O 116.705 -1.617 . . . . 0.0 114.114 169.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.04 -24.9 68.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 123.574 2.85 . . . . 0.0 115.519 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -114.35 -17.18 11.86 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.313 1.045 . . . . 0.0 113.214 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -71.38 27.87 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 O-C-N 119.92 -1.738 . . . . 0.0 113.031 171.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 24' ' ' ALA . 60.2 t-105 -134.78 19.69 3.53 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.799 2.84 . . . . 0.0 111.018 -173.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 m -128.31 -71.45 0.65 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.64 1.176 . . . . 0.0 110.701 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -51.9 -44.63 63.87 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -171.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -69.95 -2.7 13.24 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -150.72 -35.01 0.15 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -170.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.4 m -58.35 -30.15 66.51 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.837 1.199 . . . . 0.0 111.808 171.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.52 7.77 1.52 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.986 1.314 . . . . 0.0 113.792 173.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 65.32 35.22 7.72 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.411 1.484 . . . . 0.0 114.481 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 0 C-N-CA 127.672 2.389 . . . . 0.0 115.87 -177.636 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -37.51 101.41 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.172 2.189 . . . . 0.0 112.211 168.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t0 35.91 40.84 0.1 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.434 2.294 . . . . 0.0 114.695 -169.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.08 8.6 1.06 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.744 2.128 . . . . 0.0 116.744 -172.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -78.79 -56.46 4.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.344 1.429 . . . . 0.0 111.619 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -78.81 -0.97 32.64 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.131 -0.981 . . . . 0.0 113.377 -177.878 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 t -54.84 -32.41 60.52 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.906 1.282 . . . . 0.0 113.06 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -78.83 -50.7 10.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.858 1.263 . . . . 0.0 110.055 169.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.85 -12.89 2.17 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -80.23 -28.48 38.53 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.088 -1.633 . . . . 0.0 113.324 168.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -63.2 -41.23 99.13 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.724 1.147 . . . . 0.0 110.933 167.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.52 -20.29 44.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.477 1.111 . . . . 0.0 113.12 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.1 t -80.63 -32.16 36.31 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.5 -55.27 0.04 OUTLIER Glycine 0 CA--C 1.534 1.256 0 N-CA-C 115.494 0.958 . . . . 0.0 115.494 -169.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.39 -13.02 57.7 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.874 1.337 . . . . 0.0 113.648 176.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ptt85 -33.39 -41.67 0.09 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.075 2.15 . . . . 0.0 114.719 168.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -56.25 -21.22 22.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.105 1.762 . . . . 0.0 113.885 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -119.21 13.96 12.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.02 1.728 . . . . 0.0 112.22 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -131.66 -75.45 0.52 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.912 1.285 . . . . 0.0 110.424 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.335 3.1 pp 38.78 -6.78 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 130.643 3.577 . . . . 0.0 120.387 -168.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.0 -45.12 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.032 0 CA-C-O 116.681 -1.628 . . . . 0.0 114.614 172.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.09 -21.61 59.97 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.584 2.856 . . . . 0.0 115.707 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -116.36 -24.91 7.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.0 1.32 . . . . 0.0 112.802 -177.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -70.74 30.66 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.063 0 O-C-N 119.793 -1.817 . . . . 0.0 113.897 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.407 ' H ' ' C ' ' A' ' 24' ' ' ALA . 60.9 t-105 -136.67 24.1 3.13 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 129.734 3.214 . . . . 0.0 111.12 -175.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.8 m -133.62 -74.78 0.48 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.21 1.004 . . . . 0.0 111.122 -176.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.8 t -51.53 -49.99 60.88 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.187 -0.946 . . . . 0.0 113.281 -171.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -71.73 5.09 2.7 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.748 1.619 . . . . 0.0 115.344 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -139.97 -43.84 0.43 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.7 m -58.95 -29.99 67.55 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.828 1.251 . . . . 0.0 112.116 175.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -141.87 16.56 2.13 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 169.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 62.68 23.14 13.77 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.608 1.563 . . . . 0.0 115.022 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 129.838 3.255 . . . . 0.0 114.863 178.456 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.086 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m 56.73 31.47 19.43 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 160.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -40.01 103.8 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.933 1.693 . . . . 0.0 112.267 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.5 t0 33.97 42.26 0.05 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.8 2.44 . . . . 0.0 114.748 -168.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.67 9.12 1.04 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 -173.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -80.82 -59.32 2.72 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.832 1.196 . . . . 0.0 111.416 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER -76.52 -1.66 28.41 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.146 -0.971 . . . . 0.0 113.446 -176.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -27.14 55.21 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.35 1.06 . . . . 0.0 113.301 173.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -73.15 -60.71 2.11 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.527 1.531 . . . . 0.0 110.106 163.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -56.24 -15.06 3.31 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 116.773 2.138 . . . . 0.0 116.773 -171.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.3 -28.38 61.15 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 119.931 -1.731 . . . . 0.0 113.888 169.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.37 -45.24 84.87 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.779 1.172 . . . . 0.0 110.796 163.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.94 -22.75 67.05 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.365 0.666 . . . . 0.0 112.102 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.6 t -75.86 -32.5 59.76 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.564 1.146 . . . . 0.0 113.812 171.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -132.66 -60.45 0.08 OUTLIER Glycine 0 N--CA 1.475 1.288 0 N-CA-C 115.493 0.957 . . . . 0.0 115.493 -172.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.09 -15.32 44.28 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 ptt85 -34.74 -41.8 0.14 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.502 1.921 . . . . 0.0 114.777 170.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -56.06 -20.76 18.36 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.783 1.633 . . . . 0.0 113.877 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -122.05 15.05 10.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.187 1.795 . . . . 0.0 111.907 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -130.15 -75.2 0.54 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.993 1.717 . . . . 0.0 109.475 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.322 2.6 pp 36.37 -4.96 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 131.21 3.804 . . . . 0.0 120.63 -169.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.46 -50.81 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 116.571 -1.68 . . . . 0.0 114.067 169.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.11 -23.09 59.38 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 123.598 2.866 . . . . 0.0 115.575 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.38 -13.96 12.24 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.439 1.095 . . . . 0.0 113.092 176.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -76.18 55.81 0.98 Allowed 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.391 -1.443 . . . . 0.0 111.048 174.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -146.15 2.02 0.87 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.494 1.917 . . . . 0.0 113.081 -165.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.44 -68.36 0.58 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.301 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.9 t -47.37 -46.01 25.42 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 121.637 2.017 . . . . 0.0 114.462 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -61.86 -10.51 9.44 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.854 2.062 . . . . 0.0 115.757 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -151.35 -35.31 0.14 Allowed 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 -166.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.6 m -59.49 -32.99 70.78 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.69 1.196 . . . . 0.0 111.694 170.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -141.24 8.62 2.04 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 61.61 38.17 15.63 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.221 1.408 . . . . 0.0 114.375 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 C-N-CA 128.024 2.53 . . . . 0.0 115.972 179.475 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m 66.85 25.78 9.47 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 141.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -32.28 106.56 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.796 2.039 . . . . 0.0 112.801 170.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.4 t0 33.75 41.98 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.479 2.712 . . . . 0.0 115.259 -171.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.04 -0.67 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.861 2.064 . . . . 0.0 116.33 -170.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -69.57 -55.07 11.16 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.764 -1.21 . . . . 0.0 110.631 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.27 0.0 OUTLIER -79.46 -8.6 59.24 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.238 -0.887 . . . . 0.0 113.315 -178.532 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 t -60.93 -26.06 67.22 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.451 1.478 . . . . 0.0 113.786 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -77.41 -51.76 10.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.368 1.067 . . . . 0.0 110.537 167.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.32 -11.61 0.83 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.559 1.944 . . . . 0.0 115.188 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.55 -41.73 96.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.639 1.976 . . . . 0.0 111.606 167.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.51 -36.78 85.31 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.167 0.987 . . . . 0.0 112.298 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.73 -8.99 7.72 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.58 1.552 . . . . 0.0 113.016 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -100.92 -7.53 23.34 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.334 1.054 . . . . 0.0 113.815 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.91 -59.41 0.01 OUTLIER Glycine 0 N--CA 1.475 1.283 0 O-C-N 120.676 -1.265 . . . . 0.0 115.579 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 -12.94 56.98 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 118.466 1.133 . . . . 0.0 113.815 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -34.8 -42.77 0.16 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.951 2.1 . . . . 0.0 114.441 168.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 m -57.73 -17.87 17.87 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.519 1.927 . . . . 0.0 113.658 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -123.17 14.16 9.73 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.367 1.867 . . . . 0.0 111.512 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -133.31 -72.33 0.51 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.44 1.896 . . . . 0.0 110.102 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.338 2.5 pp 33.17 -2.53 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 131.462 3.905 . . . . 0.0 121.059 -165.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.73 -48.15 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.94 0 CA-C-O 116.571 -1.681 . . . . 0.0 114.647 172.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.84 -40.52 83.6 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 123.118 2.545 . . . . 0.0 114.57 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.45 -25.84 20.13 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.865 0.866 . . . . 0.0 112.336 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -74.02 44.34 0.18 Allowed 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.007 -1.683 . . . . 0.0 112.066 171.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -140.55 14.01 2.35 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.381 2.672 . . . . 0.0 111.474 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.0 m -133.63 -66.54 0.64 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.571 1.148 . . . . 0.0 112.856 -174.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.5 t -54.47 -42.63 70.88 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.269 -1.52 . . . . 0.0 114.324 -167.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -84.51 5.76 26.31 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.881 1.272 . . . . 0.0 114.245 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.47 -29.64 0.43 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -175.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.8 m -62.85 -34.39 77.25 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.744 1.156 . . . . 0.0 111.47 165.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.9 9.88 1.01 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 61.07 36.03 18.55 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 C-N-CA 127.04 2.136 . . . . 0.0 114.826 177.578 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.156 0 CA-C-O 118.806 -0.997 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m 66.14 163.2 0.17 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.506 2.322 . . . . 0.0 114.984 -176.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -159.52 99.53 1.44 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.724 2.01 . . . . 0.0 105.964 169.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.6 t0 36.71 50.94 0.87 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.186 1.795 . . . . 0.0 114.254 -169.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.63 11.51 0.9 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -91.64 -58.44 2.42 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.83 1.195 . . . . 0.0 112.667 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -77.55 -3.67 41.83 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -177.225 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -56.09 -37.2 69.05 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.901 1.28 . . . . 0.0 113.126 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.69 -50.59 64.34 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.685 1.194 . . . . 0.0 110.375 166.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -62.29 7.07 0.07 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.387 2.275 . . . . 0.0 116.313 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -110.21 -14.53 14.17 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.609 -1.307 . . . . 0.0 113.523 165.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' CD ' ' HE ' ' A' ' 20' ' ' ARG . 23.7 mt-10 -62.41 -41.83 98.98 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.773 1.169 . . . . 0.0 110.493 156.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.87 -22.31 24.76 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.423 1.089 . . . . 0.0 112.681 172.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -86.05 -14.1 45.4 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.545 1.138 . . . . 0.0 113.78 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.55 -56.8 0.01 OUTLIER Glycine 0 CA--C 1.535 1.342 0 CA-C-N 119.72 1.145 . . . . 0.0 115.719 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.34 -13.23 36.74 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -34.08 -41.73 0.11 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.219 2.208 . . . . 0.0 114.714 169.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -54.86 -21.69 12.2 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.134 1.774 . . . . 0.0 114.083 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -119.17 15.03 13.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.057 1.743 . . . . 0.0 111.863 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HE ' ' CD ' ' A' ' 12' ' ' GLU . 3.8 mpt_? -132.63 -70.77 0.54 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.124 1.37 . . . . 0.0 110.765 176.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.341 2.7 pp 35.34 -3.28 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 131.011 3.724 . . . . 0.0 120.558 -166.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.98 -47.28 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 CA-C-O 116.587 -1.673 . . . . 0.0 114.377 170.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.47 -41.07 81.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 123.16 2.574 . . . . 0.0 114.936 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.21 -27.34 16.92 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.843 0.857 . . . . 0.0 112.529 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -72.2 37.56 0.07 Allowed 'General case' 0 N--CA 1.481 1.089 0 O-C-N 120.002 -1.686 . . . . 0.0 113.181 170.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -138.77 15.16 2.7 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 128.84 2.856 . . . . 0.0 112.177 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 m -127.46 -76.89 0.57 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.331 1.053 . . . . 0.0 110.775 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.8 t -52.05 -46.69 65.19 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.232 -0.918 . . . . 0.0 113.243 -172.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -62.73 -8.18 6.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.684 1.994 . . . . 0.0 115.162 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -142.6 -40.45 0.34 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -171.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.2 m -57.13 -33.73 67.67 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.76 1.224 . . . . 0.0 112.016 172.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -144.28 15.51 1.67 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 63.1 30.11 16.16 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.208 1.403 . . . . 0.0 114.483 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 127.902 2.481 . . . . 0.0 115.067 -174.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p 48.52 20.59 0.32 Allowed 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 120.736 3.606 . . . . 0.0 120.736 149.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -35.48 112.7 0.17 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.284 2.233 . . . . 0.0 113.588 175.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 t0 34.0 41.28 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.704 2.802 . . . . 0.0 114.676 -171.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.85 13.66 2.18 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.682 1.993 . . . . 0.0 116.082 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -94.56 -51.03 4.93 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.669 1.122 . . . . 0.0 110.882 175.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -76.45 -3.73 38.75 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.162 -0.961 . . . . 0.0 113.584 -177.643 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -60.7 -30.67 70.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.201 1.801 . . . . 0.0 112.341 170.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.42 -58.93 5.06 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.652 1.181 . . . . 0.0 109.274 164.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -61.04 6.57 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.694 2.397 . . . . 0.0 116.883 -170.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.255 2.4 pt-20 -99.4 -26.62 14.08 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.278 1.431 . . . . 0.0 112.222 172.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.18 -43.74 98.4 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.511 1.051 . . . . 0.0 110.71 159.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.16 -1.75 2.43 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.924 1.69 . . . . 0.0 113.231 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -111.07 -6.06 14.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.026 1.33 . . . . 0.0 113.306 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.83 -57.46 0.01 OUTLIER Glycine 0 N--CA 1.472 1.091 0 O-C-N 120.999 -1.063 . . . . 0.0 114.942 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -17.07 62.7 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -34.87 -42.87 0.17 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.222 2.209 . . . . 0.0 114.789 171.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -55.87 -20.95 17.58 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.217 1.807 . . . . 0.0 113.841 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -124.55 17.28 8.87 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.196 1.799 . . . . 0.0 111.808 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -131.52 -75.83 0.52 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.199 1.799 . . . . 0.0 109.64 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.343 2.8 pp 35.69 -2.08 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 131.165 3.786 . . . . 0.0 121.058 -169.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.8 -43.94 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.076 0 CA-C-O 116.758 -1.591 . . . . 0.0 115.058 170.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -60.59 -19.81 61.74 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 123.627 2.884 . . . . 0.0 115.44 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.91 -26.3 4.83 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.636 1.174 . . . . 0.0 113.047 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.79 56.4 0.4 Allowed 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.126 -1.609 . . . . 0.0 111.807 169.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -146.6 5.72 0.92 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 128.282 2.633 . . . . 0.0 112.383 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.83 -70.4 0.58 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 118.176 -0.916 . . . . 0.0 112.351 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.81 -42.9 27.21 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 121.086 1.766 . . . . 0.0 114.241 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -63.36 -9.63 13.0 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.336 1.854 . . . . 0.0 115.794 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -151.54 -31.25 0.16 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -167.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.9 m -58.9 -34.25 71.46 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.246 1.019 . . . . 0.0 111.497 167.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -144.14 12.61 1.6 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.54 1.136 . . . . 0.0 113.751 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 62.91 35.44 13.44 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.976 1.311 . . . . 0.0 114.528 174.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 C-N-CA 127.337 2.255 . . . . 0.0 114.912 -178.868 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 66.66 30.72 8.09 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 143.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -41.44 104.45 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.715 2.006 . . . . 0.0 112.125 170.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.3 t0 36.7 43.56 0.28 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.131 2.173 . . . . 0.0 113.544 -168.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.97 -21.67 0.03 OUTLIER 'General case' 0 C--O 1.249 1.042 0 C-N-CA 128.645 2.778 . . . . 0.0 117.374 -169.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -52.01 -53.04 46.51 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.454 1.479 . . . . 0.0 113.346 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -82.09 0.63 39.71 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 -176.1 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.9 -25.06 68.14 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.197 0.908 . . . . 0.0 112.628 176.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.2 -59.77 3.16 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.827 1.651 . . . . 0.0 109.964 163.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.61 6.11 0.1 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.441 2.296 . . . . 0.0 117.177 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.1 -26.14 13.14 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.755 1.222 . . . . 0.0 113.196 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.48 -43.47 93.26 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.712 1.142 . . . . 0.0 110.068 161.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.09 -14.86 7.57 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.302 1.441 . . . . 0.0 113.639 173.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 t -96.7 -13.55 22.67 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.181 1.392 . . . . 0.0 112.982 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.62 -57.39 0.01 OUTLIER Glycine 0 C--N 1.346 1.125 0 O-C-N 120.364 -1.46 . . . . 0.0 114.951 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.6 -18.44 53.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.988 1.106 . . . . 0.0 113.988 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -34.02 -43.26 0.14 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.786 2.034 . . . . 0.0 114.605 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -58.5 -18.91 32.92 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.249 1.42 . . . . 0.0 114.093 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.0 18.06 10.07 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.504 1.522 . . . . 0.0 112.55 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -130.42 -66.68 0.76 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.525 1.53 . . . . 0.0 110.289 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 2.5 pp 34.48 -5.1 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.217 1 C-N-CA 131.965 4.106 . . . . 0.0 121.178 -170.967 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.75 -53.1 0.02 OUTLIER Pre-proline 0 CA--C 1.551 0.997 0 CA-C-O 116.529 -1.7 . . . . 0.0 114.223 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -59.06 -38.51 86.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 122.776 2.317 . . . . 0.0 114.328 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.65 -31.55 36.42 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -78.48 44.36 0.51 Allowed 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.304 -1.498 . . . . 0.0 113.197 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -129.31 10.03 5.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.756 1.622 . . . . 0.0 113.266 -169.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.01 -59.96 1.1 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.217 -0.897 . . . . 0.0 112.107 172.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.37 -47.57 56.09 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.935 1.698 . . . . 0.0 114.403 -173.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -67.77 -2.13 6.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -151.2 -36.03 0.14 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 -169.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.3 m -62.27 -32.57 73.3 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.263 1.025 . . . . 0.0 111.808 168.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -143.48 11.33 1.69 Allowed 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 62.09 34.24 16.54 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.182 1.393 . . . . 0.0 114.534 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.826 2.45 . . . . 0.0 114.827 -179.76 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.24 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m 54.1 28.8 9.36 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 118.231 2.678 . . . . 0.0 118.231 160.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -37.86 101.77 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.198 1.799 . . . . 0.0 112.037 170.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t0 31.47 44.47 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.897 2.479 . . . . 0.0 115.022 -168.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.33 6.93 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -174.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -80.52 -54.03 6.04 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.848 1.204 . . . . 0.0 112.017 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER -81.74 -1.69 48.02 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.397 -0.814 . . . . 0.0 112.878 -178.801 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -57.38 -27.42 62.29 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -80.68 -50.65 9.64 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.4 1.48 . . . . 0.0 110.429 166.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.96 -10.24 1.71 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.06 -23.87 35.6 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.011 -1.681 . . . . 0.0 113.814 167.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.65 -41.11 94.32 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.881 1.219 . . . . 0.0 111.087 164.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.26 -7.04 3.65 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.829 1.652 . . . . 0.0 112.924 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 t -104.15 -6.63 20.84 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.027 1.331 . . . . 0.0 113.676 173.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.72 -56.88 0.01 OUTLIER Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.815 -1.178 . . . . 0.0 115.681 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.48 -13.93 59.89 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.482 1.141 . . . . 0.0 113.767 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -33.95 -42.18 0.12 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 127.636 2.374 . . . . 0.0 114.947 171.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -57.5 -20.2 29.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.041 1.736 . . . . 0.0 113.915 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -123.27 16.73 9.84 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.12 1.768 . . . . 0.0 111.713 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -128.48 -78.69 0.57 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.856 1.662 . . . . 0.0 109.265 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.328 2.8 pp 38.0 -5.58 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 131.06 3.744 . . . . 0.0 120.464 -171.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.82 -49.99 0.02 OUTLIER Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.748 1.619 . . . . 0.0 114.068 170.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -57.29 -30.67 88.44 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 123.421 2.747 . . . . 0.0 115.641 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.32 -15.88 14.53 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.446 1.098 . . . . 0.0 112.727 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -72.73 42.52 0.1 Allowed 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.339 -1.476 . . . . 0.0 111.85 166.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -148.06 20.12 1.11 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.974 2.11 . . . . 0.0 111.759 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.4 m -129.96 -77.96 0.54 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.245 1.018 . . . . 0.0 110.769 -174.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 t -49.34 -46.26 46.66 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.293 1.037 . . . . 0.0 113.558 -173.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -67.93 -1.61 5.97 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.909 2.084 . . . . 0.0 115.804 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -150.0 -37.07 0.15 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -174.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.9 m -59.69 -26.79 65.87 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.626 1.17 . . . . 0.0 112.252 171.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -139.9 13.53 2.47 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.533 1.133 . . . . 0.0 113.757 165.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 65.47 28.4 11.55 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.712 1.605 . . . . 0.0 114.949 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 C-N-CA 128.376 2.67 . . . . 0.0 115.082 -177.858 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 m 66.67 25.51 9.84 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.677 2.102 . . . . 0.0 116.677 144.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -39.13 108.91 0.09 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.095 1.758 . . . . 0.0 112.087 170.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.4 t0 35.92 43.76 0.21 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.702 2.401 . . . . 0.0 113.927 -171.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.24 -27.68 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.276 2.631 . . . . 0.0 116.303 -167.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -47.08 -48.78 22.52 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.171 1.789 . . . . 0.0 114.597 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER -86.09 -0.09 54.78 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -179.374 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -63.05 -17.9 62.76 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -173.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -97.16 -41.66 8.21 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.11 1.364 . . . . 0.0 110.831 167.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 t -56.74 -11.33 1.33 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.83 -32.9 60.01 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 119.734 -1.854 . . . . 0.0 113.459 165.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.76 -40.17 87.27 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.692 1.133 . . . . 0.0 111.294 170.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -59.65 -11.27 4.65 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.459 1.504 . . . . 0.0 113.087 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.8 t -102.07 -14.8 16.97 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.427 1.091 . . . . 0.0 113.773 173.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.88 -65.73 0.03 OUTLIER Glycine 0 N--CA 1.474 1.231 0 O-C-N 120.733 -1.229 . . . . 0.0 114.474 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.46 -11.73 25.87 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -35.05 -42.34 0.17 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.803 2.041 . . . . 0.0 114.426 168.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -54.66 -20.65 8.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.998 1.719 . . . . 0.0 114.245 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -124.23 16.31 9.1 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.896 1.679 . . . . 0.0 111.927 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -130.87 -69.87 0.63 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.909 1.684 . . . . 0.0 109.768 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 2.2 pp 34.52 -7.95 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 131.639 3.976 . . . . 0.0 121.422 -169.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.14 -51.63 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.8 0 CA-C-O 116.41 -1.757 . . . . 0.0 114.578 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.01 -25.93 56.36 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 123.284 2.656 . . . . 0.0 114.905 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.43 -12.84 16.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.669 1.188 . . . . 0.0 113.421 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -79.4 40.04 0.42 Allowed 'General case' 0 N--CA 1.481 1.115 0 O-C-N 119.293 -2.129 . . . . 0.0 112.223 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -145.38 28.47 1.2 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.398 2.279 . . . . 0.0 110.866 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.6 p -136.31 -75.21 0.43 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.847 1.259 . . . . 0.0 111.901 -170.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -51.76 -44.99 63.57 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.206 1.402 . . . . 0.0 112.711 -173.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -72.02 0.39 9.54 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.207 1.803 . . . . 0.0 115.739 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.04 -34.38 0.13 Allowed 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -172.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 m -61.15 -28.65 69.27 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.535 1.061 . . . . 0.0 111.592 168.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -143.94 7.91 1.44 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 171.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 65.7 30.43 10.31 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.058 2.543 . . . . 0.0 115.879 -177.892 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 110.276 -1.129 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m 67.73 22.0 9.06 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 117.902 2.556 . . . . 0.0 117.902 148.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -37.62 106.36 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.632 1.973 . . . . 0.0 112.539 169.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.0 t0 33.82 43.25 0.06 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 128.275 2.63 . . . . 0.0 114.486 -170.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.93 3.99 0.15 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.092 2.157 . . . . 0.0 116.486 -173.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -79.33 -52.24 8.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 120.052 1.296 . . . . 0.0 111.24 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.295 0.0 OUTLIER -79.22 -5.51 54.47 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.52 -0.738 . . . . 0.0 112.858 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -24.86 61.05 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -92.95 -42.43 9.47 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.59 1.156 . . . . 0.0 110.668 169.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.83 -13.84 7.28 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.68 -22.41 59.95 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 119.741 -1.849 . . . . 0.0 113.804 166.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -70.94 -44.38 66.25 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.739 1.154 . . . . 0.0 111.738 164.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.56 -8.03 8.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.886 1.274 . . . . 0.0 113.789 -175.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -110.09 -5.2 15.45 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.838 1.655 . . . . 0.0 113.547 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.39 -64.37 0.01 OUTLIER Glycine 0 N--CA 1.474 1.182 0 O-C-N 120.693 -1.255 . . . . 0.0 114.293 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.63 -12.87 57.05 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 174.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -32.78 -44.32 0.11 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.515 2.326 . . . . 0.0 115.199 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 m -58.1 -22.05 48.99 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.672 1.589 . . . . 0.0 113.75 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -112.97 10.49 18.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.155 1.782 . . . . 0.0 111.868 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -128.63 -76.88 0.56 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.062 1.745 . . . . 0.0 109.329 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.331 2.6 pp 37.0 -4.73 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 130.781 3.632 . . . . 0.0 120.676 -169.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.44 -47.64 0.02 OUTLIER Pre-proline 0 CA--C 1.551 1.006 0 CA-C-O 116.604 -1.665 . . . . 0.0 114.766 169.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -59.45 -22.91 68.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 123.622 2.881 . . . . 0.0 115.259 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.4 -19.03 9.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.403 1.081 . . . . 0.0 113.345 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -73.29 46.57 0.19 Allowed 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.315 -1.491 . . . . 0.0 112.664 173.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -147.58 30.76 0.9 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.255 2.222 . . . . 0.0 111.141 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.5 p -135.38 -82.61 0.41 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.544 1.138 . . . . 0.0 111.561 -171.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.4 t -51.04 -45.21 61.23 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.885 1.674 . . . . 0.0 112.564 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -57.79 -15.45 8.27 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.87 2.068 . . . . 0.0 115.886 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -143.85 -41.11 0.28 Allowed 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -167.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -57.19 -32.15 66.16 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.127 1.371 . . . . 0.0 112.201 175.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -143.61 10.22 1.61 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 63.1 32.54 15.18 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.318 1.447 . . . . 0.0 114.119 177.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.548 2.739 . . . . 0.0 116.154 -176.48 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.126 0 CA-C-O 118.902 -0.943 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p 46.26 19.98 0.08 Allowed 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 120.27 3.434 . . . . 0.0 120.27 155.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -32.84 104.71 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 127.26 2.224 . . . . 0.0 112.681 168.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.9 t0 33.74 45.34 0.1 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.179 2.592 . . . . 0.0 114.871 -171.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.42 10.78 1.01 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.705 2.002 . . . . 0.0 116.113 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -86.02 -59.78 2.2 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.464 1.106 . . . . 0.0 111.33 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.261 0.0 OUTLIER -75.82 -2.18 28.73 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.046 -1.033 . . . . 0.0 113.722 -177.443 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 t -52.06 -36.8 51.63 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.371 1.868 . . . . 0.0 113.497 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.99 -50.39 13.28 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.21 1.404 . . . . 0.0 110.259 169.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -58.08 -1.6 0.13 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.662 2.385 . . . . 0.0 116.572 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.64 -23.98 18.81 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.19 -1.569 . . . . 0.0 113.555 167.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -57.6 -41.51 81.39 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 120.129 1.331 . . . . 0.0 110.553 162.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.88 -8.87 5.57 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.892 1.677 . . . . 0.0 113.223 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -109.01 -15.57 14.33 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.996 1.318 . . . . 0.0 113.553 174.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.07 -65.78 0.08 OUTLIER Glycine 0 N--CA 1.473 1.156 0 O-C-N 120.996 -1.065 . . . . 0.0 114.001 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.24 -13.4 49.06 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -34.9 -43.47 0.19 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.13 2.172 . . . . 0.0 114.852 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -56.61 -20.79 22.85 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.702 1.601 . . . . 0.0 114.194 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -124.48 17.77 8.9 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.332 1.853 . . . . 0.0 111.895 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -127.82 -80.21 0.59 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.683 1.593 . . . . 0.0 109.05 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 2.6 pp 38.28 -4.39 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 130.893 3.677 . . . . 0.0 120.529 -171.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.87 -47.87 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.95 0 CA-C-O 116.705 -1.617 . . . . 0.0 114.114 169.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.04 -24.9 68.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 123.574 2.85 . . . . 0.0 115.519 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -114.35 -17.18 11.86 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.313 1.045 . . . . 0.0 113.214 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -71.38 27.87 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 O-C-N 119.92 -1.738 . . . . 0.0 113.031 171.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 24' ' ' ALA . 60.2 t-105 -134.78 19.69 3.53 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.799 2.84 . . . . 0.0 111.018 -173.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 m -128.31 -71.45 0.65 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.64 1.176 . . . . 0.0 110.701 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -51.9 -44.63 63.87 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -171.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -69.95 -2.7 13.24 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -150.72 -35.01 0.15 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -170.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.4 m -58.35 -30.15 66.51 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.837 1.199 . . . . 0.0 111.808 171.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.52 7.77 1.52 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.986 1.314 . . . . 0.0 113.792 173.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 65.32 35.22 7.72 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.411 1.484 . . . . 0.0 114.481 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 0 C-N-CA 127.672 2.389 . . . . 0.0 115.87 -177.636 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 CA-C-O 119.198 -0.779 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p 50.83 35.69 12.82 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 154.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -37.51 101.41 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.172 2.189 . . . . 0.0 112.211 168.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t0 35.91 40.84 0.1 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.434 2.294 . . . . 0.0 114.695 -169.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.08 8.6 1.06 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.744 2.128 . . . . 0.0 116.744 -172.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -78.79 -56.46 4.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.344 1.429 . . . . 0.0 111.619 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -78.81 -0.97 32.64 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.131 -0.981 . . . . 0.0 113.377 -177.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 t -54.84 -32.41 60.52 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.906 1.282 . . . . 0.0 113.06 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -78.83 -50.7 10.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.858 1.263 . . . . 0.0 110.055 169.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.85 -12.89 2.17 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -80.23 -28.48 38.53 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.088 -1.633 . . . . 0.0 113.324 168.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -63.2 -41.23 99.13 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.724 1.147 . . . . 0.0 110.933 167.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.52 -20.29 44.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.477 1.111 . . . . 0.0 113.12 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.1 t -80.63 -32.16 36.31 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.5 -55.27 0.04 OUTLIER Glycine 0 CA--C 1.534 1.256 0 N-CA-C 115.494 0.958 . . . . 0.0 115.494 -169.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.39 -13.02 57.7 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.874 1.337 . . . . 0.0 113.648 176.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ptt85 -33.39 -41.67 0.09 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.075 2.15 . . . . 0.0 114.719 168.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -56.25 -21.22 22.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.105 1.762 . . . . 0.0 113.885 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -119.21 13.96 12.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.02 1.728 . . . . 0.0 112.22 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -131.66 -75.45 0.52 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.912 1.285 . . . . 0.0 110.424 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.335 3.1 pp 38.78 -6.78 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 130.643 3.577 . . . . 0.0 120.387 -168.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.0 -45.12 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.032 0 CA-C-O 116.681 -1.628 . . . . 0.0 114.614 172.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.09 -21.61 59.97 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.584 2.856 . . . . 0.0 115.707 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -116.36 -24.91 7.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.0 1.32 . . . . 0.0 112.802 -177.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -70.74 30.66 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.063 0 O-C-N 119.793 -1.817 . . . . 0.0 113.897 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.407 ' H ' ' C ' ' A' ' 24' ' ' ALA . 60.9 t-105 -136.67 24.1 3.13 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 129.734 3.214 . . . . 0.0 111.12 -175.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.8 m -133.62 -74.78 0.48 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.21 1.004 . . . . 0.0 111.122 -176.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.8 t -51.53 -49.99 60.88 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.187 -0.946 . . . . 0.0 113.281 -171.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -71.73 5.09 2.7 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.748 1.619 . . . . 0.0 115.344 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -139.97 -43.84 0.43 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.7 m -58.95 -29.99 67.55 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.828 1.251 . . . . 0.0 112.116 175.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -141.87 16.56 2.13 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 169.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 62.68 23.14 13.77 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.608 1.563 . . . . 0.0 115.022 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 129.838 3.255 . . . . 0.0 114.863 178.456 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 CA--C 1.543 0.681 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -40.01 103.8 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.933 1.693 . . . . 0.0 112.267 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.5 t0 33.97 42.26 0.05 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.8 2.44 . . . . 0.0 114.748 -168.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.67 9.12 1.04 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 -173.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -80.82 -59.32 2.72 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.832 1.196 . . . . 0.0 111.416 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER -76.52 -1.66 28.41 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.146 -0.971 . . . . 0.0 113.446 -176.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -27.14 55.21 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.35 1.06 . . . . 0.0 113.301 173.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -73.15 -60.71 2.11 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.527 1.531 . . . . 0.0 110.106 163.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -56.24 -15.06 3.31 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 116.773 2.138 . . . . 0.0 116.773 -171.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.3 -28.38 61.15 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 119.931 -1.731 . . . . 0.0 113.888 169.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.37 -45.24 84.87 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.779 1.172 . . . . 0.0 110.796 163.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.94 -22.75 67.05 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.365 0.666 . . . . 0.0 112.102 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.6 t -75.86 -32.5 59.76 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.564 1.146 . . . . 0.0 113.812 171.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -132.66 -60.45 0.08 OUTLIER Glycine 0 N--CA 1.475 1.288 0 N-CA-C 115.493 0.957 . . . . 0.0 115.493 -172.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.09 -15.32 44.28 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 ptt85 -34.74 -41.8 0.14 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.502 1.921 . . . . 0.0 114.777 170.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -56.06 -20.76 18.36 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.783 1.633 . . . . 0.0 113.877 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -122.05 15.05 10.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.187 1.795 . . . . 0.0 111.907 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -130.15 -75.2 0.54 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.993 1.717 . . . . 0.0 109.475 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.322 2.6 pp 36.37 -4.96 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 131.21 3.804 . . . . 0.0 120.63 -169.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.46 -50.81 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 116.571 -1.68 . . . . 0.0 114.067 169.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.11 -23.09 59.38 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 123.598 2.866 . . . . 0.0 115.575 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.38 -13.96 12.24 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.439 1.095 . . . . 0.0 113.092 176.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -76.18 55.81 0.98 Allowed 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.391 -1.443 . . . . 0.0 111.048 174.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -146.15 2.02 0.87 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.494 1.917 . . . . 0.0 113.081 -165.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.44 -68.36 0.58 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.301 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.9 t -47.37 -46.01 25.42 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 121.637 2.017 . . . . 0.0 114.462 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -61.86 -10.51 9.44 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.854 2.062 . . . . 0.0 115.757 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -151.35 -35.31 0.14 Allowed 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 -166.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.6 m -59.49 -32.99 70.78 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.69 1.196 . . . . 0.0 111.694 170.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -141.24 8.62 2.04 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 61.61 38.17 15.63 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.221 1.408 . . . . 0.0 114.375 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 C-N-CA 128.024 2.53 . . . . 0.0 115.972 179.475 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -32.28 106.56 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.796 2.039 . . . . 0.0 112.801 170.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.4 t0 33.75 41.98 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.479 2.712 . . . . 0.0 115.259 -171.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.04 -0.67 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.861 2.064 . . . . 0.0 116.33 -170.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -69.57 -55.07 11.16 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.764 -1.21 . . . . 0.0 110.631 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.27 0.0 OUTLIER -79.46 -8.6 59.24 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.238 -0.887 . . . . 0.0 113.315 -178.532 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 t -60.93 -26.06 67.22 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.451 1.478 . . . . 0.0 113.786 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -77.41 -51.76 10.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.368 1.067 . . . . 0.0 110.537 167.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.32 -11.61 0.83 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.559 1.944 . . . . 0.0 115.188 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.55 -41.73 96.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.639 1.976 . . . . 0.0 111.606 167.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.51 -36.78 85.31 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.167 0.987 . . . . 0.0 112.298 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.73 -8.99 7.72 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.58 1.552 . . . . 0.0 113.016 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -100.92 -7.53 23.34 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.334 1.054 . . . . 0.0 113.815 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.91 -59.41 0.01 OUTLIER Glycine 0 N--CA 1.475 1.283 0 O-C-N 120.676 -1.265 . . . . 0.0 115.579 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 -12.94 56.98 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 118.466 1.133 . . . . 0.0 113.815 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -34.8 -42.77 0.16 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.951 2.1 . . . . 0.0 114.441 168.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 m -57.73 -17.87 17.87 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.519 1.927 . . . . 0.0 113.658 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -123.17 14.16 9.73 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.367 1.867 . . . . 0.0 111.512 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -133.31 -72.33 0.51 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.44 1.896 . . . . 0.0 110.102 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.338 2.5 pp 33.17 -2.53 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 131.462 3.905 . . . . 0.0 121.059 -165.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.73 -48.15 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.94 0 CA-C-O 116.571 -1.681 . . . . 0.0 114.647 172.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.84 -40.52 83.6 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 123.118 2.545 . . . . 0.0 114.57 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.45 -25.84 20.13 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.865 0.866 . . . . 0.0 112.336 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -74.02 44.34 0.18 Allowed 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.007 -1.683 . . . . 0.0 112.066 171.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -140.55 14.01 2.35 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.381 2.672 . . . . 0.0 111.474 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.0 m -133.63 -66.54 0.64 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.571 1.148 . . . . 0.0 112.856 -174.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.5 t -54.47 -42.63 70.88 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.269 -1.52 . . . . 0.0 114.324 -167.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -84.51 5.76 26.31 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.881 1.272 . . . . 0.0 114.245 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.47 -29.64 0.43 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -175.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.8 m -62.85 -34.39 77.25 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.744 1.156 . . . . 0.0 111.47 165.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.9 9.88 1.01 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 61.07 36.03 18.55 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 C-N-CA 127.04 2.136 . . . . 0.0 114.826 177.578 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 CA--C 1.546 0.793 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -159.52 99.53 1.44 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.724 2.01 . . . . 0.0 105.964 169.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.6 t0 36.71 50.94 0.87 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.186 1.795 . . . . 0.0 114.254 -169.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.63 11.51 0.9 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -91.64 -58.44 2.42 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.83 1.195 . . . . 0.0 112.667 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -77.55 -3.67 41.83 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -177.225 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -56.09 -37.2 69.05 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.901 1.28 . . . . 0.0 113.126 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.69 -50.59 64.34 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.685 1.194 . . . . 0.0 110.375 166.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -62.29 7.07 0.07 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.387 2.275 . . . . 0.0 116.313 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -110.21 -14.53 14.17 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.609 -1.307 . . . . 0.0 113.523 165.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' CD ' ' HE ' ' A' ' 20' ' ' ARG . 23.7 mt-10 -62.41 -41.83 98.98 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.773 1.169 . . . . 0.0 110.493 156.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.87 -22.31 24.76 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.423 1.089 . . . . 0.0 112.681 172.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -86.05 -14.1 45.4 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.545 1.138 . . . . 0.0 113.78 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.55 -56.8 0.01 OUTLIER Glycine 0 CA--C 1.535 1.342 0 CA-C-N 119.72 1.145 . . . . 0.0 115.719 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.34 -13.23 36.74 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -34.08 -41.73 0.11 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.219 2.208 . . . . 0.0 114.714 169.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -54.86 -21.69 12.2 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.134 1.774 . . . . 0.0 114.083 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -119.17 15.03 13.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.057 1.743 . . . . 0.0 111.863 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HE ' ' CD ' ' A' ' 12' ' ' GLU . 3.8 mpt_? -132.63 -70.77 0.54 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.124 1.37 . . . . 0.0 110.765 176.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.341 2.7 pp 35.34 -3.28 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 131.011 3.724 . . . . 0.0 120.558 -166.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.98 -47.28 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 CA-C-O 116.587 -1.673 . . . . 0.0 114.377 170.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.47 -41.07 81.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 123.16 2.574 . . . . 0.0 114.936 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.21 -27.34 16.92 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.843 0.857 . . . . 0.0 112.529 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -72.2 37.56 0.07 Allowed 'General case' 0 N--CA 1.481 1.089 0 O-C-N 120.002 -1.686 . . . . 0.0 113.181 170.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -138.77 15.16 2.7 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 128.84 2.856 . . . . 0.0 112.177 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 m -127.46 -76.89 0.57 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.331 1.053 . . . . 0.0 110.775 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.8 t -52.05 -46.69 65.19 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.232 -0.918 . . . . 0.0 113.243 -172.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -62.73 -8.18 6.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.684 1.994 . . . . 0.0 115.162 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -142.6 -40.45 0.34 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -171.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.2 m -57.13 -33.73 67.67 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.76 1.224 . . . . 0.0 112.016 172.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -144.28 15.51 1.67 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 63.1 30.11 16.16 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.208 1.403 . . . . 0.0 114.483 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 127.902 2.481 . . . . 0.0 115.067 -174.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p . . . . . 0 CA--C 1.554 1.131 0 N-CA-C 120.736 3.606 . . . . 0.0 120.736 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -35.48 112.7 0.17 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.284 2.233 . . . . 0.0 113.588 175.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 t0 34.0 41.28 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.704 2.802 . . . . 0.0 114.676 -171.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.85 13.66 2.18 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.682 1.993 . . . . 0.0 116.082 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -94.56 -51.03 4.93 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.669 1.122 . . . . 0.0 110.882 175.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -76.45 -3.73 38.75 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.162 -0.961 . . . . 0.0 113.584 -177.643 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -60.7 -30.67 70.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.201 1.801 . . . . 0.0 112.341 170.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.42 -58.93 5.06 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.652 1.181 . . . . 0.0 109.274 164.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -61.04 6.57 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.694 2.397 . . . . 0.0 116.883 -170.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.255 2.4 pt-20 -99.4 -26.62 14.08 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.278 1.431 . . . . 0.0 112.222 172.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.18 -43.74 98.4 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.511 1.051 . . . . 0.0 110.71 159.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.16 -1.75 2.43 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.924 1.69 . . . . 0.0 113.231 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -111.07 -6.06 14.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.026 1.33 . . . . 0.0 113.306 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.83 -57.46 0.01 OUTLIER Glycine 0 N--CA 1.472 1.091 0 O-C-N 120.999 -1.063 . . . . 0.0 114.942 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -17.07 62.7 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -34.87 -42.87 0.17 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.222 2.209 . . . . 0.0 114.789 171.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -55.87 -20.95 17.58 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.217 1.807 . . . . 0.0 113.841 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -124.55 17.28 8.87 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.196 1.799 . . . . 0.0 111.808 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -131.52 -75.83 0.52 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.199 1.799 . . . . 0.0 109.64 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.343 2.8 pp 35.69 -2.08 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 131.165 3.786 . . . . 0.0 121.058 -169.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.8 -43.94 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.076 0 CA-C-O 116.758 -1.591 . . . . 0.0 115.058 170.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -60.59 -19.81 61.74 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 123.627 2.884 . . . . 0.0 115.44 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.91 -26.3 4.83 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.636 1.174 . . . . 0.0 113.047 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.79 56.4 0.4 Allowed 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.126 -1.609 . . . . 0.0 111.807 169.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -146.6 5.72 0.92 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 128.282 2.633 . . . . 0.0 112.383 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.83 -70.4 0.58 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 118.176 -0.916 . . . . 0.0 112.351 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.81 -42.9 27.21 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 121.086 1.766 . . . . 0.0 114.241 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -63.36 -9.63 13.0 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.336 1.854 . . . . 0.0 115.794 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -151.54 -31.25 0.16 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -167.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.9 m -58.9 -34.25 71.46 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.246 1.019 . . . . 0.0 111.497 167.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -144.14 12.61 1.6 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.54 1.136 . . . . 0.0 113.751 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 62.91 35.44 13.44 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.976 1.311 . . . . 0.0 114.528 174.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 C-N-CA 127.337 2.255 . . . . 0.0 114.912 -178.868 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -41.44 104.45 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.715 2.006 . . . . 0.0 112.125 170.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.3 t0 36.7 43.56 0.28 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.131 2.173 . . . . 0.0 113.544 -168.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.97 -21.67 0.03 OUTLIER 'General case' 0 C--O 1.249 1.042 0 C-N-CA 128.645 2.778 . . . . 0.0 117.374 -169.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -52.01 -53.04 46.51 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.454 1.479 . . . . 0.0 113.346 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -82.09 0.63 39.71 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 -176.1 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.9 -25.06 68.14 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.197 0.908 . . . . 0.0 112.628 176.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.2 -59.77 3.16 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.827 1.651 . . . . 0.0 109.964 163.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.61 6.11 0.1 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.441 2.296 . . . . 0.0 117.177 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.1 -26.14 13.14 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.755 1.222 . . . . 0.0 113.196 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.48 -43.47 93.26 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.712 1.142 . . . . 0.0 110.068 161.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.09 -14.86 7.57 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.302 1.441 . . . . 0.0 113.639 173.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 t -96.7 -13.55 22.67 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.181 1.392 . . . . 0.0 112.982 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.62 -57.39 0.01 OUTLIER Glycine 0 C--N 1.346 1.125 0 O-C-N 120.364 -1.46 . . . . 0.0 114.951 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.6 -18.44 53.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.988 1.106 . . . . 0.0 113.988 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -34.02 -43.26 0.14 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.786 2.034 . . . . 0.0 114.605 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -58.5 -18.91 32.92 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.249 1.42 . . . . 0.0 114.093 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.0 18.06 10.07 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.504 1.522 . . . . 0.0 112.55 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -130.42 -66.68 0.76 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.525 1.53 . . . . 0.0 110.289 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 2.5 pp 34.48 -5.1 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.217 1 C-N-CA 131.965 4.106 . . . . 0.0 121.178 -170.967 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.75 -53.1 0.02 OUTLIER Pre-proline 0 CA--C 1.551 0.997 0 CA-C-O 116.529 -1.7 . . . . 0.0 114.223 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -59.06 -38.51 86.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 122.776 2.317 . . . . 0.0 114.328 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.65 -31.55 36.42 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -78.48 44.36 0.51 Allowed 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.304 -1.498 . . . . 0.0 113.197 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -129.31 10.03 5.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.756 1.622 . . . . 0.0 113.266 -169.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.01 -59.96 1.1 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.217 -0.897 . . . . 0.0 112.107 172.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.37 -47.57 56.09 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.935 1.698 . . . . 0.0 114.403 -173.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -67.77 -2.13 6.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -151.2 -36.03 0.14 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 -169.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.3 m -62.27 -32.57 73.3 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.263 1.025 . . . . 0.0 111.808 168.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -143.48 11.33 1.69 Allowed 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 62.09 34.24 16.54 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.182 1.393 . . . . 0.0 114.534 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.826 2.45 . . . . 0.0 114.827 -179.76 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 CA--C 1.542 0.64 0 N-CA-C 118.231 2.678 . . . . 0.0 118.231 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -37.86 101.77 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.198 1.799 . . . . 0.0 112.037 170.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t0 31.47 44.47 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.897 2.479 . . . . 0.0 115.022 -168.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.33 6.93 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -174.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -80.52 -54.03 6.04 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.848 1.204 . . . . 0.0 112.017 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER -81.74 -1.69 48.02 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.397 -0.814 . . . . 0.0 112.878 -178.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -57.38 -27.42 62.29 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -80.68 -50.65 9.64 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.4 1.48 . . . . 0.0 110.429 166.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.96 -10.24 1.71 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.06 -23.87 35.6 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.011 -1.681 . . . . 0.0 113.814 167.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.65 -41.11 94.32 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.881 1.219 . . . . 0.0 111.087 164.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.26 -7.04 3.65 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.829 1.652 . . . . 0.0 112.924 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 t -104.15 -6.63 20.84 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.027 1.331 . . . . 0.0 113.676 173.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.72 -56.88 0.01 OUTLIER Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.815 -1.178 . . . . 0.0 115.681 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.48 -13.93 59.89 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.482 1.141 . . . . 0.0 113.767 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -33.95 -42.18 0.12 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 127.636 2.374 . . . . 0.0 114.947 171.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -57.5 -20.2 29.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.041 1.736 . . . . 0.0 113.915 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -123.27 16.73 9.84 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.12 1.768 . . . . 0.0 111.713 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -128.48 -78.69 0.57 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.856 1.662 . . . . 0.0 109.265 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.328 2.8 pp 38.0 -5.58 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 131.06 3.744 . . . . 0.0 120.464 -171.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.82 -49.99 0.02 OUTLIER Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.748 1.619 . . . . 0.0 114.068 170.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -57.29 -30.67 88.44 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 123.421 2.747 . . . . 0.0 115.641 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.32 -15.88 14.53 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.446 1.098 . . . . 0.0 112.727 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -72.73 42.52 0.1 Allowed 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.339 -1.476 . . . . 0.0 111.85 166.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -148.06 20.12 1.11 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.974 2.11 . . . . 0.0 111.759 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.4 m -129.96 -77.96 0.54 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.245 1.018 . . . . 0.0 110.769 -174.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 t -49.34 -46.26 46.66 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.293 1.037 . . . . 0.0 113.558 -173.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -67.93 -1.61 5.97 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.909 2.084 . . . . 0.0 115.804 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -150.0 -37.07 0.15 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -174.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.9 m -59.69 -26.79 65.87 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.626 1.17 . . . . 0.0 112.252 171.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -139.9 13.53 2.47 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.533 1.133 . . . . 0.0 113.757 165.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 65.47 28.4 11.55 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.712 1.605 . . . . 0.0 114.949 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 C-N-CA 128.376 2.67 . . . . 0.0 115.082 -177.858 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 116.677 2.102 . . . . 0.0 116.677 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -39.13 108.91 0.09 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.095 1.758 . . . . 0.0 112.087 170.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.4 t0 35.92 43.76 0.21 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.702 2.401 . . . . 0.0 113.927 -171.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.24 -27.68 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.276 2.631 . . . . 0.0 116.303 -167.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -47.08 -48.78 22.52 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.171 1.789 . . . . 0.0 114.597 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER -86.09 -0.09 54.78 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -179.374 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -63.05 -17.9 62.76 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -173.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -97.16 -41.66 8.21 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.11 1.364 . . . . 0.0 110.831 167.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 t -56.74 -11.33 1.33 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.83 -32.9 60.01 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 119.734 -1.854 . . . . 0.0 113.459 165.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.76 -40.17 87.27 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.692 1.133 . . . . 0.0 111.294 170.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -59.65 -11.27 4.65 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.459 1.504 . . . . 0.0 113.087 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.8 t -102.07 -14.8 16.97 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.427 1.091 . . . . 0.0 113.773 173.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.88 -65.73 0.03 OUTLIER Glycine 0 N--CA 1.474 1.231 0 O-C-N 120.733 -1.229 . . . . 0.0 114.474 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.46 -11.73 25.87 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -35.05 -42.34 0.17 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.803 2.041 . . . . 0.0 114.426 168.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -54.66 -20.65 8.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.998 1.719 . . . . 0.0 114.245 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -124.23 16.31 9.1 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.896 1.679 . . . . 0.0 111.927 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -130.87 -69.87 0.63 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.909 1.684 . . . . 0.0 109.768 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 2.2 pp 34.52 -7.95 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 131.639 3.976 . . . . 0.0 121.422 -169.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.14 -51.63 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.8 0 CA-C-O 116.41 -1.757 . . . . 0.0 114.578 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.01 -25.93 56.36 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 123.284 2.656 . . . . 0.0 114.905 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.43 -12.84 16.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.669 1.188 . . . . 0.0 113.421 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -79.4 40.04 0.42 Allowed 'General case' 0 N--CA 1.481 1.115 0 O-C-N 119.293 -2.129 . . . . 0.0 112.223 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -145.38 28.47 1.2 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.398 2.279 . . . . 0.0 110.866 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.6 p -136.31 -75.21 0.43 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.847 1.259 . . . . 0.0 111.901 -170.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -51.76 -44.99 63.57 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.206 1.402 . . . . 0.0 112.711 -173.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -72.02 0.39 9.54 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.207 1.803 . . . . 0.0 115.739 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.04 -34.38 0.13 Allowed 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -172.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 m -61.15 -28.65 69.27 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.535 1.061 . . . . 0.0 111.592 168.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -143.94 7.91 1.44 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 171.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 65.7 30.43 10.31 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.058 2.543 . . . . 0.0 115.879 -177.892 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 117.902 2.556 . . . . 0.0 117.902 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -37.62 106.36 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.632 1.973 . . . . 0.0 112.539 169.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.0 t0 33.82 43.25 0.06 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 128.275 2.63 . . . . 0.0 114.486 -170.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.93 3.99 0.15 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.092 2.157 . . . . 0.0 116.486 -173.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -79.33 -52.24 8.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 120.052 1.296 . . . . 0.0 111.24 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.295 0.0 OUTLIER -79.22 -5.51 54.47 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.52 -0.738 . . . . 0.0 112.858 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -24.86 61.05 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -92.95 -42.43 9.47 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.59 1.156 . . . . 0.0 110.668 169.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.83 -13.84 7.28 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.68 -22.41 59.95 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 119.741 -1.849 . . . . 0.0 113.804 166.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -70.94 -44.38 66.25 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.739 1.154 . . . . 0.0 111.738 164.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.56 -8.03 8.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.886 1.274 . . . . 0.0 113.789 -175.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -110.09 -5.2 15.45 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.838 1.655 . . . . 0.0 113.547 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.39 -64.37 0.01 OUTLIER Glycine 0 N--CA 1.474 1.182 0 O-C-N 120.693 -1.255 . . . . 0.0 114.293 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.63 -12.87 57.05 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 174.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -32.78 -44.32 0.11 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.515 2.326 . . . . 0.0 115.199 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 m -58.1 -22.05 48.99 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.672 1.589 . . . . 0.0 113.75 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -112.97 10.49 18.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.155 1.782 . . . . 0.0 111.868 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -128.63 -76.88 0.56 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.062 1.745 . . . . 0.0 109.329 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.331 2.6 pp 37.0 -4.73 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 130.781 3.632 . . . . 0.0 120.676 -169.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.44 -47.64 0.02 OUTLIER Pre-proline 0 CA--C 1.551 1.006 0 CA-C-O 116.604 -1.665 . . . . 0.0 114.766 169.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -59.45 -22.91 68.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 123.622 2.881 . . . . 0.0 115.259 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.4 -19.03 9.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.403 1.081 . . . . 0.0 113.345 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -73.29 46.57 0.19 Allowed 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.315 -1.491 . . . . 0.0 112.664 173.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -147.58 30.76 0.9 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.255 2.222 . . . . 0.0 111.141 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.5 p -135.38 -82.61 0.41 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.544 1.138 . . . . 0.0 111.561 -171.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.4 t -51.04 -45.21 61.23 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.885 1.674 . . . . 0.0 112.564 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -57.79 -15.45 8.27 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.87 2.068 . . . . 0.0 115.886 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -143.85 -41.11 0.28 Allowed 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -167.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -57.19 -32.15 66.16 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.127 1.371 . . . . 0.0 112.201 175.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -143.61 10.22 1.61 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 63.1 32.54 15.18 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.318 1.447 . . . . 0.0 114.119 177.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.548 2.739 . . . . 0.0 116.154 -176.48 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p . . . . . 0 CA--C 1.546 0.798 0 N-CA-C 120.27 3.434 . . . . 0.0 120.27 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -32.84 104.71 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 127.26 2.224 . . . . 0.0 112.681 168.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.9 t0 33.74 45.34 0.1 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.179 2.592 . . . . 0.0 114.871 -171.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.42 10.78 1.01 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.705 2.002 . . . . 0.0 116.113 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -86.02 -59.78 2.2 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.464 1.106 . . . . 0.0 111.33 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.261 0.0 OUTLIER -75.82 -2.18 28.73 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.046 -1.033 . . . . 0.0 113.722 -177.443 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 t -52.06 -36.8 51.63 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.371 1.868 . . . . 0.0 113.497 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.99 -50.39 13.28 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.21 1.404 . . . . 0.0 110.259 169.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -58.08 -1.6 0.13 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.662 2.385 . . . . 0.0 116.572 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.64 -23.98 18.81 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.19 -1.569 . . . . 0.0 113.555 167.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -57.6 -41.51 81.39 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 120.129 1.331 . . . . 0.0 110.553 162.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.88 -8.87 5.57 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.892 1.677 . . . . 0.0 113.223 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -109.01 -15.57 14.33 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.996 1.318 . . . . 0.0 113.553 174.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.07 -65.78 0.08 OUTLIER Glycine 0 N--CA 1.473 1.156 0 O-C-N 120.996 -1.065 . . . . 0.0 114.001 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.24 -13.4 49.06 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -34.9 -43.47 0.19 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.13 2.172 . . . . 0.0 114.852 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -56.61 -20.79 22.85 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.702 1.601 . . . . 0.0 114.194 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -124.48 17.77 8.9 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.332 1.853 . . . . 0.0 111.895 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -127.82 -80.21 0.59 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.683 1.593 . . . . 0.0 109.05 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 2.6 pp 38.28 -4.39 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 130.893 3.677 . . . . 0.0 120.529 -171.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.87 -47.87 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.95 0 CA-C-O 116.705 -1.617 . . . . 0.0 114.114 169.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.04 -24.9 68.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 123.574 2.85 . . . . 0.0 115.519 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -114.35 -17.18 11.86 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.313 1.045 . . . . 0.0 113.214 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -71.38 27.87 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 O-C-N 119.92 -1.738 . . . . 0.0 113.031 171.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 24' ' ' ALA . 60.2 t-105 -134.78 19.69 3.53 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.799 2.84 . . . . 0.0 111.018 -173.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 m -128.31 -71.45 0.65 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.64 1.176 . . . . 0.0 110.701 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -51.9 -44.63 63.87 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -171.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -69.95 -2.7 13.24 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -150.72 -35.01 0.15 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -170.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.4 m -58.35 -30.15 66.51 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.837 1.199 . . . . 0.0 111.808 171.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.52 7.77 1.52 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.986 1.314 . . . . 0.0 113.792 173.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 65.32 35.22 7.72 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.411 1.484 . . . . 0.0 114.481 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 0 C-N-CA 127.672 2.389 . . . . 0.0 115.87 -177.636 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -37.51 101.41 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.172 2.189 . . . . 0.0 112.211 168.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t0 35.91 40.84 0.1 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.434 2.294 . . . . 0.0 114.695 -169.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.08 8.6 1.06 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.744 2.128 . . . . 0.0 116.744 -172.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -78.79 -56.46 4.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.344 1.429 . . . . 0.0 111.619 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -78.81 -0.97 32.64 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.131 -0.981 . . . . 0.0 113.377 -177.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 t -54.84 -32.41 60.52 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.906 1.282 . . . . 0.0 113.06 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -78.83 -50.7 10.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.858 1.263 . . . . 0.0 110.055 169.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.85 -12.89 2.17 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -80.23 -28.48 38.53 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.088 -1.633 . . . . 0.0 113.324 168.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -63.2 -41.23 99.13 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.724 1.147 . . . . 0.0 110.933 167.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.52 -20.29 44.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.477 1.111 . . . . 0.0 113.12 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.1 t -80.63 -32.16 36.31 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.5 -55.27 0.04 OUTLIER Glycine 0 CA--C 1.534 1.256 0 N-CA-C 115.494 0.958 . . . . 0.0 115.494 -169.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.39 -13.02 57.7 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.874 1.337 . . . . 0.0 113.648 176.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ptt85 -33.39 -41.67 0.09 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.075 2.15 . . . . 0.0 114.719 168.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -56.25 -21.22 22.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.105 1.762 . . . . 0.0 113.885 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -119.21 13.96 12.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.02 1.728 . . . . 0.0 112.22 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -131.66 -75.45 0.52 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.912 1.285 . . . . 0.0 110.424 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.335 3.1 pp 38.78 -6.78 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 130.643 3.577 . . . . 0.0 120.387 -168.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.0 -45.12 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.032 0 CA-C-O 116.681 -1.628 . . . . 0.0 114.614 172.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.09 -21.61 59.97 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.584 2.856 . . . . 0.0 115.707 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -116.36 -24.91 7.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.0 1.32 . . . . 0.0 112.802 -177.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -70.74 30.66 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.063 0 O-C-N 119.793 -1.817 . . . . 0.0 113.897 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.407 ' H ' ' C ' ' A' ' 24' ' ' ALA . 60.9 t-105 -136.67 24.1 3.13 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 129.734 3.214 . . . . 0.0 111.12 -175.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.8 m -133.62 -74.78 0.48 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.21 1.004 . . . . 0.0 111.122 -176.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.8 t -51.53 -49.99 60.88 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.187 -0.946 . . . . 0.0 113.281 -171.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -71.73 5.09 2.7 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.748 1.619 . . . . 0.0 115.344 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -139.97 -43.84 0.43 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.7 m -58.95 -29.99 67.55 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.828 1.251 . . . . 0.0 112.116 175.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -141.87 16.56 2.13 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 169.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 62.68 23.14 13.77 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.608 1.563 . . . . 0.0 115.022 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 129.838 3.255 . . . . 0.0 114.863 178.456 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.086 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m 56.73 31.47 19.43 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 117.517 2.414 . . . . 0.0 117.517 160.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -40.01 103.8 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.933 1.693 . . . . 0.0 112.267 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.5 t0 33.97 42.26 0.05 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.8 2.44 . . . . 0.0 114.748 -168.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.67 9.12 1.04 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 -173.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -80.82 -59.32 2.72 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.832 1.196 . . . . 0.0 111.416 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER -76.52 -1.66 28.41 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.146 -0.971 . . . . 0.0 113.446 -176.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -27.14 55.21 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.35 1.06 . . . . 0.0 113.301 173.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -73.15 -60.71 2.11 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.527 1.531 . . . . 0.0 110.106 163.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -56.24 -15.06 3.31 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 116.773 2.138 . . . . 0.0 116.773 -171.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.3 -28.38 61.15 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 119.931 -1.731 . . . . 0.0 113.888 169.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.37 -45.24 84.87 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.779 1.172 . . . . 0.0 110.796 163.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.94 -22.75 67.05 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.365 0.666 . . . . 0.0 112.102 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.6 t -75.86 -32.5 59.76 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.564 1.146 . . . . 0.0 113.812 171.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -132.66 -60.45 0.08 OUTLIER Glycine 0 N--CA 1.475 1.288 0 N-CA-C 115.493 0.957 . . . . 0.0 115.493 -172.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.09 -15.32 44.28 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 ptt85 -34.74 -41.8 0.14 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.502 1.921 . . . . 0.0 114.777 170.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -56.06 -20.76 18.36 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.783 1.633 . . . . 0.0 113.877 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -122.05 15.05 10.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.187 1.795 . . . . 0.0 111.907 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -130.15 -75.2 0.54 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.993 1.717 . . . . 0.0 109.475 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.322 2.6 pp 36.37 -4.96 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 131.21 3.804 . . . . 0.0 120.63 -169.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.46 -50.81 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 116.571 -1.68 . . . . 0.0 114.067 169.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.11 -23.09 59.38 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 123.598 2.866 . . . . 0.0 115.575 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.38 -13.96 12.24 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.439 1.095 . . . . 0.0 113.092 176.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -76.18 55.81 0.98 Allowed 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.391 -1.443 . . . . 0.0 111.048 174.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -146.15 2.02 0.87 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.494 1.917 . . . . 0.0 113.081 -165.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.44 -68.36 0.58 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 117.925 -1.036 . . . . 0.0 113.301 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.9 t -47.37 -46.01 25.42 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 121.637 2.017 . . . . 0.0 114.462 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -61.86 -10.51 9.44 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.854 2.062 . . . . 0.0 115.757 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -151.35 -35.31 0.14 Allowed 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 -166.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.6 m -59.49 -32.99 70.78 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.69 1.196 . . . . 0.0 111.694 170.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -141.24 8.62 2.04 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 61.61 38.17 15.63 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.221 1.408 . . . . 0.0 114.375 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 C-N-CA 128.024 2.53 . . . . 0.0 115.972 179.475 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m 66.85 25.78 9.47 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 141.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -32.28 106.56 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.796 2.039 . . . . 0.0 112.801 170.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.4 t0 33.75 41.98 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.479 2.712 . . . . 0.0 115.259 -171.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.04 -0.67 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.861 2.064 . . . . 0.0 116.33 -170.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -69.57 -55.07 11.16 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.764 -1.21 . . . . 0.0 110.631 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.27 0.0 OUTLIER -79.46 -8.6 59.24 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.238 -0.887 . . . . 0.0 113.315 -178.532 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 t -60.93 -26.06 67.22 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.451 1.478 . . . . 0.0 113.786 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -77.41 -51.76 10.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.368 1.067 . . . . 0.0 110.537 167.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.32 -11.61 0.83 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.559 1.944 . . . . 0.0 115.188 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.55 -41.73 96.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.639 1.976 . . . . 0.0 111.606 167.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.51 -36.78 85.31 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.167 0.987 . . . . 0.0 112.298 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.73 -8.99 7.72 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.58 1.552 . . . . 0.0 113.016 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -100.92 -7.53 23.34 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.334 1.054 . . . . 0.0 113.815 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.91 -59.41 0.01 OUTLIER Glycine 0 N--CA 1.475 1.283 0 O-C-N 120.676 -1.265 . . . . 0.0 115.579 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 -12.94 56.98 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 118.466 1.133 . . . . 0.0 113.815 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -34.8 -42.77 0.16 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.951 2.1 . . . . 0.0 114.441 168.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 m -57.73 -17.87 17.87 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.519 1.927 . . . . 0.0 113.658 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -123.17 14.16 9.73 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.367 1.867 . . . . 0.0 111.512 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -133.31 -72.33 0.51 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.44 1.896 . . . . 0.0 110.102 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.338 2.5 pp 33.17 -2.53 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 131.462 3.905 . . . . 0.0 121.059 -165.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.73 -48.15 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.94 0 CA-C-O 116.571 -1.681 . . . . 0.0 114.647 172.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.84 -40.52 83.6 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 123.118 2.545 . . . . 0.0 114.57 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.45 -25.84 20.13 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.865 0.866 . . . . 0.0 112.336 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -74.02 44.34 0.18 Allowed 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.007 -1.683 . . . . 0.0 112.066 171.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -140.55 14.01 2.35 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.381 2.672 . . . . 0.0 111.474 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.0 m -133.63 -66.54 0.64 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.571 1.148 . . . . 0.0 112.856 -174.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.5 t -54.47 -42.63 70.88 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.269 -1.52 . . . . 0.0 114.324 -167.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -84.51 5.76 26.31 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.881 1.272 . . . . 0.0 114.245 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.47 -29.64 0.43 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -175.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.8 m -62.85 -34.39 77.25 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.744 1.156 . . . . 0.0 111.47 165.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.9 9.88 1.01 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 61.07 36.03 18.55 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 C-N-CA 127.04 2.136 . . . . 0.0 114.826 177.578 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.156 0 CA-C-O 118.806 -0.997 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m 66.14 163.2 0.17 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.506 2.322 . . . . 0.0 114.984 -176.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -159.52 99.53 1.44 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.724 2.01 . . . . 0.0 105.964 169.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.6 t0 36.71 50.94 0.87 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.186 1.795 . . . . 0.0 114.254 -169.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.63 11.51 0.9 Allowed 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -91.64 -58.44 2.42 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.83 1.195 . . . . 0.0 112.667 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -77.55 -3.67 41.83 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -177.225 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -56.09 -37.2 69.05 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.901 1.28 . . . . 0.0 113.126 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.69 -50.59 64.34 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.685 1.194 . . . . 0.0 110.375 166.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -62.29 7.07 0.07 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.387 2.275 . . . . 0.0 116.313 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -110.21 -14.53 14.17 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.609 -1.307 . . . . 0.0 113.523 165.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' CD ' ' HE ' ' A' ' 20' ' ' ARG . 23.7 mt-10 -62.41 -41.83 98.98 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.773 1.169 . . . . 0.0 110.493 156.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.87 -22.31 24.76 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.423 1.089 . . . . 0.0 112.681 172.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -86.05 -14.1 45.4 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.545 1.138 . . . . 0.0 113.78 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.55 -56.8 0.01 OUTLIER Glycine 0 CA--C 1.535 1.342 0 CA-C-N 119.72 1.145 . . . . 0.0 115.719 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.34 -13.23 36.74 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -34.08 -41.73 0.11 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.219 2.208 . . . . 0.0 114.714 169.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -54.86 -21.69 12.2 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.134 1.774 . . . . 0.0 114.083 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -119.17 15.03 13.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.057 1.743 . . . . 0.0 111.863 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HE ' ' CD ' ' A' ' 12' ' ' GLU . 3.8 mpt_? -132.63 -70.77 0.54 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.124 1.37 . . . . 0.0 110.765 176.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.341 2.7 pp 35.34 -3.28 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 131.011 3.724 . . . . 0.0 120.558 -166.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.98 -47.28 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 CA-C-O 116.587 -1.673 . . . . 0.0 114.377 170.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.47 -41.07 81.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 123.16 2.574 . . . . 0.0 114.936 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.21 -27.34 16.92 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.843 0.857 . . . . 0.0 112.529 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -72.2 37.56 0.07 Allowed 'General case' 0 N--CA 1.481 1.089 0 O-C-N 120.002 -1.686 . . . . 0.0 113.181 170.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -138.77 15.16 2.7 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 128.84 2.856 . . . . 0.0 112.177 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 m -127.46 -76.89 0.57 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.331 1.053 . . . . 0.0 110.775 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.8 t -52.05 -46.69 65.19 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.232 -0.918 . . . . 0.0 113.243 -172.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -62.73 -8.18 6.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.684 1.994 . . . . 0.0 115.162 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -142.6 -40.45 0.34 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -171.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.2 m -57.13 -33.73 67.67 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.76 1.224 . . . . 0.0 112.016 172.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -144.28 15.51 1.67 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 63.1 30.11 16.16 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.208 1.403 . . . . 0.0 114.483 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 C-N-CA 127.902 2.481 . . . . 0.0 115.067 -174.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p 48.52 20.59 0.32 Allowed 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 120.736 3.606 . . . . 0.0 120.736 149.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -35.48 112.7 0.17 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.284 2.233 . . . . 0.0 113.588 175.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 t0 34.0 41.28 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.704 2.802 . . . . 0.0 114.676 -171.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.85 13.66 2.18 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.682 1.993 . . . . 0.0 116.082 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -94.56 -51.03 4.93 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.669 1.122 . . . . 0.0 110.882 175.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER -76.45 -3.73 38.75 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.162 -0.961 . . . . 0.0 113.584 -177.643 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -60.7 -30.67 70.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.201 1.801 . . . . 0.0 112.341 170.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.42 -58.93 5.06 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.652 1.181 . . . . 0.0 109.274 164.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -61.04 6.57 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.694 2.397 . . . . 0.0 116.883 -170.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.255 2.4 pt-20 -99.4 -26.62 14.08 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.278 1.431 . . . . 0.0 112.222 172.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.18 -43.74 98.4 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.511 1.051 . . . . 0.0 110.71 159.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.16 -1.75 2.43 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.924 1.69 . . . . 0.0 113.231 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -111.07 -6.06 14.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.026 1.33 . . . . 0.0 113.306 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.83 -57.46 0.01 OUTLIER Glycine 0 N--CA 1.472 1.091 0 O-C-N 120.999 -1.063 . . . . 0.0 114.942 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -17.07 62.7 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -34.87 -42.87 0.17 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.222 2.209 . . . . 0.0 114.789 171.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -55.87 -20.95 17.58 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.217 1.807 . . . . 0.0 113.841 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -124.55 17.28 8.87 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.196 1.799 . . . . 0.0 111.808 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -131.52 -75.83 0.52 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.199 1.799 . . . . 0.0 109.64 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.343 2.8 pp 35.69 -2.08 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 131.165 3.786 . . . . 0.0 121.058 -169.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.8 -43.94 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.076 0 CA-C-O 116.758 -1.591 . . . . 0.0 115.058 170.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -60.59 -19.81 61.74 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 123.627 2.884 . . . . 0.0 115.44 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.91 -26.3 4.83 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.636 1.174 . . . . 0.0 113.047 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -72.79 56.4 0.4 Allowed 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.126 -1.609 . . . . 0.0 111.807 169.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -146.6 5.72 0.92 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 128.282 2.633 . . . . 0.0 112.383 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.83 -70.4 0.58 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 118.176 -0.916 . . . . 0.0 112.351 -176.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.2 t -47.81 -42.9 27.21 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 121.086 1.766 . . . . 0.0 114.241 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -63.36 -9.63 13.0 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.336 1.854 . . . . 0.0 115.794 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -151.54 -31.25 0.16 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -167.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.9 m -58.9 -34.25 71.46 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.246 1.019 . . . . 0.0 111.497 167.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -144.14 12.61 1.6 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.54 1.136 . . . . 0.0 113.751 174.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 62.91 35.44 13.44 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.976 1.311 . . . . 0.0 114.528 174.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 C-N-CA 127.337 2.255 . . . . 0.0 114.912 -178.868 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 66.66 30.72 8.09 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 116.126 1.899 . . . . 0.0 116.126 143.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -41.44 104.45 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.715 2.006 . . . . 0.0 112.125 170.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.3 t0 36.7 43.56 0.28 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.131 2.173 . . . . 0.0 113.544 -168.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.97 -21.67 0.03 OUTLIER 'General case' 0 C--O 1.249 1.042 0 C-N-CA 128.645 2.778 . . . . 0.0 117.374 -169.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -52.01 -53.04 46.51 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.454 1.479 . . . . 0.0 113.346 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -82.09 0.63 39.71 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 -176.1 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.9 -25.06 68.14 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.197 0.908 . . . . 0.0 112.628 176.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.2 -59.77 3.16 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.827 1.651 . . . . 0.0 109.964 163.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.61 6.11 0.1 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.441 2.296 . . . . 0.0 117.177 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.1 -26.14 13.14 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.755 1.222 . . . . 0.0 113.196 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.48 -43.47 93.26 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.712 1.142 . . . . 0.0 110.068 161.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.09 -14.86 7.57 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.302 1.441 . . . . 0.0 113.639 173.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 t -96.7 -13.55 22.67 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.181 1.392 . . . . 0.0 112.982 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.62 -57.39 0.01 OUTLIER Glycine 0 C--N 1.346 1.125 0 O-C-N 120.364 -1.46 . . . . 0.0 114.951 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.6 -18.44 53.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.988 1.106 . . . . 0.0 113.988 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -34.02 -43.26 0.14 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.786 2.034 . . . . 0.0 114.605 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -58.5 -18.91 32.92 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.249 1.42 . . . . 0.0 114.093 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.0 18.06 10.07 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.504 1.522 . . . . 0.0 112.55 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -130.42 -66.68 0.76 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.525 1.53 . . . . 0.0 110.289 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.33 2.5 pp 34.48 -5.1 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.217 1 C-N-CA 131.965 4.106 . . . . 0.0 121.178 -170.967 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.75 -53.1 0.02 OUTLIER Pre-proline 0 CA--C 1.551 0.997 0 CA-C-O 116.529 -1.7 . . . . 0.0 114.223 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -59.06 -38.51 86.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 122.776 2.317 . . . . 0.0 114.328 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.65 -31.55 36.42 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -78.48 44.36 0.51 Allowed 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.304 -1.498 . . . . 0.0 113.197 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -129.31 10.03 5.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.756 1.622 . . . . 0.0 113.266 -169.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.01 -59.96 1.1 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.217 -0.897 . . . . 0.0 112.107 172.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.37 -47.57 56.09 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.935 1.698 . . . . 0.0 114.403 -173.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -67.77 -2.13 6.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -151.2 -36.03 0.14 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 -169.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.3 m -62.27 -32.57 73.3 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.263 1.025 . . . . 0.0 111.808 168.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -143.48 11.33 1.69 Allowed 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 62.09 34.24 16.54 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.182 1.393 . . . . 0.0 114.534 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.826 2.45 . . . . 0.0 114.827 -179.76 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.24 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m 54.1 28.8 9.36 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 118.231 2.678 . . . . 0.0 118.231 160.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -37.86 101.77 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.198 1.799 . . . . 0.0 112.037 170.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t0 31.47 44.47 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.897 2.479 . . . . 0.0 115.022 -168.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.33 6.93 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -174.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -80.52 -54.03 6.04 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.848 1.204 . . . . 0.0 112.017 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER -81.74 -1.69 48.02 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.397 -0.814 . . . . 0.0 112.878 -178.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -57.38 -27.42 62.29 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -80.68 -50.65 9.64 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.4 1.48 . . . . 0.0 110.429 166.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.96 -10.24 1.71 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.06 -23.87 35.6 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.011 -1.681 . . . . 0.0 113.814 167.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.65 -41.11 94.32 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.881 1.219 . . . . 0.0 111.087 164.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.26 -7.04 3.65 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.829 1.652 . . . . 0.0 112.924 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 t -104.15 -6.63 20.84 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.027 1.331 . . . . 0.0 113.676 173.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.72 -56.88 0.01 OUTLIER Glycine 0 CA--C 1.534 1.237 0 O-C-N 120.815 -1.178 . . . . 0.0 115.681 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.48 -13.93 59.89 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.482 1.141 . . . . 0.0 113.767 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -33.95 -42.18 0.12 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 127.636 2.374 . . . . 0.0 114.947 171.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -57.5 -20.2 29.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.041 1.736 . . . . 0.0 113.915 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -123.27 16.73 9.84 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.12 1.768 . . . . 0.0 111.713 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -128.48 -78.69 0.57 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.856 1.662 . . . . 0.0 109.265 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.328 2.8 pp 38.0 -5.58 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 131.06 3.744 . . . . 0.0 120.464 -171.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.82 -49.99 0.02 OUTLIER Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.748 1.619 . . . . 0.0 114.068 170.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -57.29 -30.67 88.44 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 123.421 2.747 . . . . 0.0 115.641 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.32 -15.88 14.53 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.446 1.098 . . . . 0.0 112.727 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -72.73 42.52 0.1 Allowed 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.339 -1.476 . . . . 0.0 111.85 166.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -148.06 20.12 1.11 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.974 2.11 . . . . 0.0 111.759 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.4 m -129.96 -77.96 0.54 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.245 1.018 . . . . 0.0 110.769 -174.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 t -49.34 -46.26 46.66 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.293 1.037 . . . . 0.0 113.558 -173.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -67.93 -1.61 5.97 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.909 2.084 . . . . 0.0 115.804 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -150.0 -37.07 0.15 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -174.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.9 m -59.69 -26.79 65.87 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.626 1.17 . . . . 0.0 112.252 171.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -139.9 13.53 2.47 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.533 1.133 . . . . 0.0 113.757 165.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 65.47 28.4 11.55 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.712 1.605 . . . . 0.0 114.949 175.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 C-N-CA 128.376 2.67 . . . . 0.0 115.082 -177.858 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 m 66.67 25.51 9.84 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.677 2.102 . . . . 0.0 116.677 144.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -39.13 108.91 0.09 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.095 1.758 . . . . 0.0 112.087 170.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.4 t0 35.92 43.76 0.21 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.702 2.401 . . . . 0.0 113.927 -171.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.24 -27.68 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.276 2.631 . . . . 0.0 116.303 -167.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -47.08 -48.78 22.52 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.171 1.789 . . . . 0.0 114.597 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.278 0.0 OUTLIER -86.09 -0.09 54.78 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -179.374 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -63.05 -17.9 62.76 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -173.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -97.16 -41.66 8.21 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.11 1.364 . . . . 0.0 110.831 167.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 t -56.74 -11.33 1.33 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.83 -32.9 60.01 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 119.734 -1.854 . . . . 0.0 113.459 165.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.76 -40.17 87.27 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.692 1.133 . . . . 0.0 111.294 170.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -59.65 -11.27 4.65 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.459 1.504 . . . . 0.0 113.087 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.8 t -102.07 -14.8 16.97 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.427 1.091 . . . . 0.0 113.773 173.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.88 -65.73 0.03 OUTLIER Glycine 0 N--CA 1.474 1.231 0 O-C-N 120.733 -1.229 . . . . 0.0 114.474 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.46 -11.73 25.87 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -35.05 -42.34 0.17 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.803 2.041 . . . . 0.0 114.426 168.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -54.66 -20.65 8.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.998 1.719 . . . . 0.0 114.245 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -124.23 16.31 9.1 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.896 1.679 . . . . 0.0 111.927 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -130.87 -69.87 0.63 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.909 1.684 . . . . 0.0 109.768 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 2.2 pp 34.52 -7.95 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 131.639 3.976 . . . . 0.0 121.422 -169.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.14 -51.63 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.8 0 CA-C-O 116.41 -1.757 . . . . 0.0 114.578 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.01 -25.93 56.36 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 123.284 2.656 . . . . 0.0 114.905 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.43 -12.84 16.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.669 1.188 . . . . 0.0 113.421 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -79.4 40.04 0.42 Allowed 'General case' 0 N--CA 1.481 1.115 0 O-C-N 119.293 -2.129 . . . . 0.0 112.223 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -145.38 28.47 1.2 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.398 2.279 . . . . 0.0 110.866 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.6 p -136.31 -75.21 0.43 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.847 1.259 . . . . 0.0 111.901 -170.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -51.76 -44.99 63.57 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.206 1.402 . . . . 0.0 112.711 -173.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -72.02 0.39 9.54 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.207 1.803 . . . . 0.0 115.739 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.04 -34.38 0.13 Allowed 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -172.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 m -61.15 -28.65 69.27 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.535 1.061 . . . . 0.0 111.592 168.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -143.94 7.91 1.44 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 171.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 65.7 30.43 10.31 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.058 2.543 . . . . 0.0 115.879 -177.892 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 110.276 -1.129 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m 67.73 22.0 9.06 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 117.902 2.556 . . . . 0.0 117.902 148.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -37.62 106.36 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.632 1.973 . . . . 0.0 112.539 169.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.0 t0 33.82 43.25 0.06 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 128.275 2.63 . . . . 0.0 114.486 -170.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.93 3.99 0.15 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.092 2.157 . . . . 0.0 116.486 -173.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -79.33 -52.24 8.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 120.052 1.296 . . . . 0.0 111.24 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.295 0.0 OUTLIER -79.22 -5.51 54.47 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.52 -0.738 . . . . 0.0 112.858 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -24.86 61.05 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -92.95 -42.43 9.47 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.59 1.156 . . . . 0.0 110.668 169.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.83 -13.84 7.28 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.68 -22.41 59.95 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 119.741 -1.849 . . . . 0.0 113.804 166.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -70.94 -44.38 66.25 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.739 1.154 . . . . 0.0 111.738 164.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.56 -8.03 8.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.886 1.274 . . . . 0.0 113.789 -175.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -110.09 -5.2 15.45 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.838 1.655 . . . . 0.0 113.547 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -146.39 -64.37 0.01 OUTLIER Glycine 0 N--CA 1.474 1.182 0 O-C-N 120.693 -1.255 . . . . 0.0 114.293 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.63 -12.87 57.05 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 174.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -32.78 -44.32 0.11 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.515 2.326 . . . . 0.0 115.199 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 m -58.1 -22.05 48.99 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.672 1.589 . . . . 0.0 113.75 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -112.97 10.49 18.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.155 1.782 . . . . 0.0 111.868 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -128.63 -76.88 0.56 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.062 1.745 . . . . 0.0 109.329 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.331 2.6 pp 37.0 -4.73 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 130.781 3.632 . . . . 0.0 120.676 -169.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.44 -47.64 0.02 OUTLIER Pre-proline 0 CA--C 1.551 1.006 0 CA-C-O 116.604 -1.665 . . . . 0.0 114.766 169.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -59.45 -22.91 68.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 123.622 2.881 . . . . 0.0 115.259 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.4 -19.03 9.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.403 1.081 . . . . 0.0 113.345 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -73.29 46.57 0.19 Allowed 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.315 -1.491 . . . . 0.0 112.664 173.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -147.58 30.76 0.9 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.255 2.222 . . . . 0.0 111.141 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.5 p -135.38 -82.61 0.41 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.544 1.138 . . . . 0.0 111.561 -171.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.4 t -51.04 -45.21 61.23 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.885 1.674 . . . . 0.0 112.564 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -57.79 -15.45 8.27 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.87 2.068 . . . . 0.0 115.886 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -143.85 -41.11 0.28 Allowed 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -167.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -57.19 -32.15 66.16 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.127 1.371 . . . . 0.0 112.201 175.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -143.61 10.22 1.61 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 63.1 32.54 15.18 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.318 1.447 . . . . 0.0 114.119 177.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.548 2.739 . . . . 0.0 116.154 -176.48 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.126 0 CA-C-O 118.902 -0.943 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p 46.26 19.98 0.08 Allowed 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 120.27 3.434 . . . . 0.0 120.27 155.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -32.84 104.71 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 127.26 2.224 . . . . 0.0 112.681 168.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.9 t0 33.74 45.34 0.1 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.179 2.592 . . . . 0.0 114.871 -171.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 57.42 10.78 1.01 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.705 2.002 . . . . 0.0 116.113 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -86.02 -59.78 2.2 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.464 1.106 . . . . 0.0 111.33 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.261 0.0 OUTLIER -75.82 -2.18 28.73 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.046 -1.033 . . . . 0.0 113.722 -177.443 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 t -52.06 -36.8 51.63 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.371 1.868 . . . . 0.0 113.497 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.99 -50.39 13.28 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.21 1.404 . . . . 0.0 110.259 169.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -58.08 -1.6 0.13 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.662 2.385 . . . . 0.0 116.572 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.64 -23.98 18.81 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.19 -1.569 . . . . 0.0 113.555 167.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -57.6 -41.51 81.39 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 120.129 1.331 . . . . 0.0 110.553 162.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.88 -8.87 5.57 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.892 1.677 . . . . 0.0 113.223 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -109.01 -15.57 14.33 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.996 1.318 . . . . 0.0 113.553 174.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.07 -65.78 0.08 OUTLIER Glycine 0 N--CA 1.473 1.156 0 O-C-N 120.996 -1.065 . . . . 0.0 114.001 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.24 -13.4 49.06 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -34.9 -43.47 0.19 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.13 2.172 . . . . 0.0 114.852 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -56.61 -20.79 22.85 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.702 1.601 . . . . 0.0 114.194 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -124.48 17.77 8.9 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.332 1.853 . . . . 0.0 111.895 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -127.82 -80.21 0.59 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.683 1.593 . . . . 0.0 109.05 175.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.321 2.6 pp 38.28 -4.39 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 130.893 3.677 . . . . 0.0 120.529 -171.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.87 -47.87 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.95 0 CA-C-O 116.705 -1.617 . . . . 0.0 114.114 169.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.04 -24.9 68.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 C-N-CA 123.574 2.85 . . . . 0.0 115.519 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -114.35 -17.18 11.86 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.313 1.045 . . . . 0.0 113.214 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -71.38 27.87 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 O-C-N 119.92 -1.738 . . . . 0.0 113.031 171.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 24' ' ' ALA . 60.2 t-105 -134.78 19.69 3.53 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.799 2.84 . . . . 0.0 111.018 -173.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 m -128.31 -71.45 0.65 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.64 1.176 . . . . 0.0 110.701 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -51.9 -44.63 63.87 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -171.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -69.95 -2.7 13.24 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -150.72 -35.01 0.15 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -170.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.4 m -58.35 -30.15 66.51 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.837 1.199 . . . . 0.0 111.808 171.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.52 7.77 1.52 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.986 1.314 . . . . 0.0 113.792 173.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 65.32 35.22 7.72 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.411 1.484 . . . . 0.0 114.481 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 0 C-N-CA 127.672 2.389 . . . . 0.0 115.87 -177.636 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 CA-C-O 119.198 -0.779 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p 50.83 35.69 12.82 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 154.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -37.51 101.41 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.172 2.189 . . . . 0.0 112.211 168.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t0 35.91 40.84 0.1 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.434 2.294 . . . . 0.0 114.695 -169.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.08 8.6 1.06 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.744 2.128 . . . . 0.0 116.744 -172.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -78.79 -56.46 4.39 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.344 1.429 . . . . 0.0 111.619 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER -78.81 -0.97 32.64 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.131 -0.981 . . . . 0.0 113.377 -177.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 t -54.84 -32.41 60.52 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.906 1.282 . . . . 0.0 113.06 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -78.83 -50.7 10.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.858 1.263 . . . . 0.0 110.055 169.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.85 -12.89 2.17 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -80.23 -28.48 38.53 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.088 -1.633 . . . . 0.0 113.324 168.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -63.2 -41.23 99.13 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.724 1.147 . . . . 0.0 110.933 167.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.52 -20.29 44.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.477 1.111 . . . . 0.0 113.12 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.1 t -80.63 -32.16 36.31 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.5 -55.27 0.04 OUTLIER Glycine 0 CA--C 1.534 1.256 0 N-CA-C 115.494 0.958 . . . . 0.0 115.494 -169.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.39 -13.02 57.7 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.874 1.337 . . . . 0.0 113.648 176.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ptt85 -33.39 -41.67 0.09 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.075 2.15 . . . . 0.0 114.719 168.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -56.25 -21.22 22.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.105 1.762 . . . . 0.0 113.885 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -119.21 13.96 12.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.02 1.728 . . . . 0.0 112.22 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -131.66 -75.45 0.52 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.912 1.285 . . . . 0.0 110.424 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.335 3.1 pp 38.78 -6.78 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 130.643 3.577 . . . . 0.0 120.387 -168.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.0 -45.12 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.032 0 CA-C-O 116.681 -1.628 . . . . 0.0 114.614 172.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.09 -21.61 59.97 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.584 2.856 . . . . 0.0 115.707 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 26' ' ' TRP . . . -116.36 -24.91 7.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.0 1.32 . . . . 0.0 112.802 -177.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -70.74 30.66 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.063 0 O-C-N 119.793 -1.817 . . . . 0.0 113.897 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.407 ' H ' ' C ' ' A' ' 24' ' ' ALA . 60.9 t-105 -136.67 24.1 3.13 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 129.734 3.214 . . . . 0.0 111.12 -175.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.8 m -133.62 -74.78 0.48 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.21 1.004 . . . . 0.0 111.122 -176.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.8 t -51.53 -49.99 60.88 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.187 -0.946 . . . . 0.0 113.281 -171.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -71.73 5.09 2.7 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.748 1.619 . . . . 0.0 115.344 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -139.97 -43.84 0.43 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.7 m -58.95 -29.99 67.55 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.828 1.251 . . . . 0.0 112.116 175.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -141.87 16.56 2.13 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 169.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 62.68 23.14 13.77 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.608 1.563 . . . . 0.0 115.022 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 129.838 3.255 . . . . 0.0 114.863 178.456 . . . . . . . . 0 0 . 1 stop_ save_