data_2sh1_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 2sh1 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.85 131.09 45.45 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.083 -1.417 . . . . 0.0 112.919 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.1 t -132.52 148.79 52.39 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 112.625 -2.08 . . . . 0.0 113.453 -172.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -71.93 130.38 40.86 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.969 174.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.64 147.37 51.45 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 N--CA 1.471 0.613 0 CA-C-N 112.314 -2.221 . . . . 0.0 115.503 -178.085 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 tp . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 121.336 0.589 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.5 p -136.03 -60.54 0.73 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 113.625 -1.625 . . . . 0.0 113.061 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.98 150.59 0.92 Allowed Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.405 1.479 . . . . 0.0 115.264 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 m -108.96 139.78 43.36 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 112.417 -1.891 . . . . 0.0 108.213 173.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.9 t -67.04 108.47 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 122.81 1.29 . . . . 0.0 109.409 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -111.67 163.92 13.6 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.509 2.324 . . . . 0.0 108.815 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.52 116.44 30.75 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.6 -80.86 0.03 OUTLIER Glycine 0 N--CA 1.473 1.119 0 C-N-CA 126.299 1.904 . . . . 0.0 114.59 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 p -125.38 146.15 49.72 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.287 1.435 . . . . 0.0 112.482 -173.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.1 m -100.28 146.14 27.28 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -72.85 146.15 46.43 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.6 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.42 124.52 6.95 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.389 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.12 -47.42 1.03 Allowed Glycine 0 N--CA 1.473 1.117 0 CA-C-N 113.74 -1.573 . . . . 0.0 111.066 -169.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -84.55 98.07 9.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.862 1.315 . . . . 0.0 110.094 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -76.53 116.7 17.46 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 112.962 -1.927 . . . . 0.0 110.993 -176.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -57.01 96.26 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 O-C-N 125.251 1.594 . . . . 0.0 112.535 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.8 p -94.54 -28.25 15.52 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 112.988 -1.914 . . . . 0.0 115.441 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.22 90.5 2.69 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 158.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 p -49.21 -39.75 30.97 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 113.329 -1.76 . . . . 0.0 114.879 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -130.54 140.55 50.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.125 1.37 . . . . 0.0 108.758 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -121.69 -67.31 0.97 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.439 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -135.35 167.98 20.04 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.512 1.525 . . . . 0.0 110.794 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . 0.332 16.8 tt 9.18 -88.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 127.257 2.223 . . . . 0.0 116.708 176.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.17 37.53 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 171.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.74 138.9 52.92 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.47 1.508 . . . . 0.0 112.341 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -130.52 163.52 26.86 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 127.261 2.224 . . . . 0.0 111.287 -177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.5 m -123.92 121.96 36.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -126.37 147.56 49.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 113.015 -1.902 . . . . 0.0 114.011 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.467 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -118.29 134.6 54.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.161 175.284 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.467 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 48.5 tptt . . . . . 0 C--N 1.329 -0.285 0 C-N-CA 123.459 0.704 . . . . 0.0 111.728 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.99 135.74 36.16 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.546 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 p -136.48 154.21 50.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 123.073 1.416 . . . . 0.0 113.338 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -95.96 146.38 24.65 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 112.57 -2.105 . . . . 0.0 111.135 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.6 m -116.34 143.49 45.48 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 117.651 2.464 . . . . 0.0 117.651 -167.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 . . . . . 0 C--O 1.225 -0.205 0 CA-C-N 112.057 -2.338 . . . . 0.0 113.53 170.893 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.7 p 47.78 10.9 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 118.68 2.845 . . . . 0.0 118.68 -170.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.48 152.27 21.93 Favored Glycine 0 CA--C 1.524 0.633 0 CA-C-O 123.191 1.439 . . . . 0.0 116.174 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -119.76 140.49 50.65 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 112.891 -1.654 . . . . 0.0 107.303 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.75 104.28 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 114.139 -1.392 . . . . 0.0 107.457 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -96.05 125.92 40.92 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 113.814 -1.539 . . . . 0.0 109.688 -175.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.48 119.22 6.14 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 112.714 -2.039 . . . . 0.0 110.628 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.13 -80.87 1.22 Allowed Glycine 0 N--CA 1.474 1.219 0 CA-C-N 113.666 -1.606 . . . . 0.0 109.606 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.4 t -144.87 -170.02 3.31 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 112.326 -1.937 . . . . 0.0 109.632 -176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.9 m -66.01 129.53 40.13 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.648 1.179 . . . . 0.0 112.378 175.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -74.36 170.13 16.27 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.548 175.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.49 122.57 11.56 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.666 0.787 . . . . 0.0 111.008 172.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.58 29.66 54.93 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-N 113.431 -1.713 . . . . 0.0 114.818 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -123.47 147.8 46.84 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.252 1.025 . . . . 0.0 112.291 178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -113.41 138.26 50.34 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.292 1.837 . . . . 0.0 110.797 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.56 107.13 3.27 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.85 1.309 . . . . 0.0 113.728 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -86.68 -41.08 14.48 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 112.518 -2.128 . . . . 0.0 112.177 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.35 97.35 2.27 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 127.491 2.316 . . . . 0.0 105.27 163.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 m -37.91 -31.79 0.05 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.575 2.35 . . . . 0.0 117.082 -172.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -132.31 142.74 49.47 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.46 1.504 . . . . 0.0 108.557 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.08 -59.92 1.09 Allowed 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 114.624 -1.171 . . . . 0.0 108.934 165.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.6 p -129.39 159.73 35.29 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.33 1.452 . . . . 0.0 107.994 166.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.3 pt -43.21 -27.38 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 116.731 2.123 . . . . 0.0 116.731 169.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.5 pt -107.47 0.99 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 N-CA-C 115.578 1.695 . . . . 0.0 115.578 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -166.75 136.48 3.04 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.919 0.866 . . . . 0.0 112.759 -174.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -112.56 157.17 21.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.296 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.4 t -87.37 109.1 19.31 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.237 1.018 . . . . 0.0 108.547 170.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.6 t -129.03 148.38 50.98 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 113.081 -1.872 . . . . 0.0 110.686 -173.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -115.45 145.31 42.7 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.424 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt . . . . . 0 C--O 1.24 0.591 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.597 176.51 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.447 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.27 128.75 37.55 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.237 -1.347 . . . . 0.0 112.678 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.0 t -120.53 142.17 49.57 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 125.188 1.395 . . . . 0.0 112.754 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -73.27 105.26 4.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.279 168.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.1 m -69.12 98.5 1.0 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 113.365 -1.743 . . . . 0.0 113.694 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.471 0.575 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 173.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--O 1.237 0.445 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . 0.27 29.1 p 55.82 -25.09 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 129.746 3.219 . . . . 0.0 118.072 -173.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.86 167.97 12.74 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-O 122.953 1.307 . . . . 0.0 115.049 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.2 m -128.93 146.87 50.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 112.221 -1.99 . . . . 0.0 110.214 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 t -76.42 102.67 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 112.948 -1.933 . . . . 0.0 106.394 172.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -99.06 135.45 40.45 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 113.678 -1.601 . . . . 0.0 110.548 -173.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.3 mt -57.8 134.69 56.48 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.69 -85.79 0.64 Allowed Glycine 0 CA--C 1.528 0.892 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.389 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 t -120.26 -100.57 0.43 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 111.063 -2.569 . . . . 0.0 108.891 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 96.4 m -124.66 170.76 10.64 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.522 1.529 . . . . 0.0 112.013 170.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -109.56 164.71 12.27 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.35 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.59 115.32 1.73 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.75 -5.21 73.01 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 114.483 -1.235 . . . . 0.0 115.048 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -105.14 133.25 50.23 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.437 1.495 . . . . 0.0 109.066 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -122.45 148.19 45.42 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.566 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -59.89 122.89 15.4 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 22.0 p -109.4 -32.23 7.24 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 113.121 -1.854 . . . . 0.0 113.343 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.44 106.73 8.43 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.144 1.378 . . . . 0.0 107.523 165.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 p -48.8 -60.69 2.53 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 113.067 -1.878 . . . . 0.0 115.163 -170.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -110.51 127.75 55.32 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.919 0.866 . . . . 0.0 110.313 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -120.2 -71.75 0.72 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 112.697 -2.047 . . . . 0.0 108.418 171.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.4 p -130.23 152.24 49.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.836 1.255 . . . . 0.0 109.209 166.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.7 tp -44.65 -31.16 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.8 pp -106.65 2.77 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -168.01 119.83 0.85 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.485 1.114 . . . . 0.0 112.09 -174.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -115.5 157.76 23.57 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 113.953 -1.476 . . . . 0.0 113.245 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.9 t -94.0 110.1 21.81 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 123.891 1.805 . . . . 0.0 113.034 -169.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.2 m -119.73 145.8 46.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.453 -2.612 . . . . 0.0 111.439 -172.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -111.6 143.51 42.36 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.4 1.88 . . . . 0.0 108.984 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tptt . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 122.883 1.325 . . . . 0.0 111.072 179.126 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.24 134.36 34.54 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.584 -2.098 . . . . 0.0 112.22 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.1 p -134.18 159.1 41.94 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 113.604 -1.635 . . . . 0.0 113.143 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -73.82 124.28 25.8 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.76 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.1 t -98.96 131.85 44.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 111.239 -2.71 . . . . 0.0 108.872 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.466 0.353 0 CA-C-N 111.358 -2.655 . . . . 0.0 109.846 172.049 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.2 mt . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.9 p -100.46 68.7 1.39 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.738 -169.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -164.49 158.42 31.1 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-N 111.78 -2.464 . . . . 0.0 110.615 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 m -112.35 139.5 47.85 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 126.037 1.735 . . . . 0.0 108.455 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 t -72.82 115.47 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.311 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -112.96 142.77 45.26 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 114.003 -1.453 . . . . 0.0 109.702 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -84.46 129.46 34.86 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.059 -0.973 . . . . 0.0 113.341 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.09 -87.61 0.18 Allowed Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.59 1.567 . . . . 0.0 112.913 -177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 t -128.42 155.77 44.22 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 113.301 -1.45 . . . . 0.0 110.839 -171.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 89.5 m -105.25 132.6 51.25 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 122.33 1.062 . . . . 0.0 113.255 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -79.02 161.6 26.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 112.937 -1.938 . . . . 0.0 112.269 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.47 121.58 6.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.092 0.957 . . . . 0.0 111.252 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.16 -22.35 14.08 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 114.114 -1.403 . . . . 0.0 113.279 -171.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -101.37 114.68 28.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.148 1.451 . . . . 0.0 110.903 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 113.85 21.84 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 113.218 -1.81 . . . . 0.0 108.678 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.61 98.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 123.6 1.667 . . . . 0.0 114.294 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -53.14 15.96 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 111.673 -2.512 . . . . 0.0 112.993 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.47 100.39 4.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.282 1.833 . . . . 0.0 106.524 171.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.5 p -45.98 -38.87 8.22 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 112.619 -2.082 . . . . 0.0 114.6 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -123.37 137.19 54.88 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 122.075 0.941 . . . . 0.0 110.653 172.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -139.06 175.51 9.49 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 112.803 -1.999 . . . . 0.0 109.855 173.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.4 p -40.73 120.21 1.25 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.142 2.275 . . . . 0.0 117.142 -169.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . 0.262 4.0 mp 60.45 -92.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 112.054 -2.339 . . . . 0.0 111.068 -178.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -123.55 47.52 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 123.585 1.659 . . . . 0.0 113.953 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.31 156.3 43.28 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 113.535 -1.666 . . . . 0.0 111.965 -176.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -136.36 133.99 37.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.119 -1.4 . . . . 0.0 111.253 170.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.7 t -89.31 118.27 28.87 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.394 -177.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.0 m -137.59 150.86 47.78 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.69 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.603 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 2.9 tpm_? -119.17 136.24 54.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.964 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.603 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 6.6 tmtt? . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 123.247 1.499 . . . . 0.0 110.389 -175.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.17 108.54 19.66 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 113.336 -1.756 . . . . 0.0 111.588 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.2 t -113.29 154.99 25.91 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 112.233 -2.258 . . . . 0.0 111.897 -173.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -60.05 141.39 55.8 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 m -113.26 91.83 3.79 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.468 0.442 0 CA-C-N 111.958 -2.383 . . . . 0.0 113.577 172.376 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.473 0.715 0 CA-C-O 121.78 0.8 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.7 p -129.17 -59.87 1.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.022 -1.445 . . . . 0.0 112.979 -176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.3 118.19 2.31 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 127.556 2.503 . . . . 0.0 113.169 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.5 m -74.85 123.52 25.19 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 112.941 -1.63 . . . . 0.0 107.799 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.1 97.83 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 113.906 -1.497 . . . . 0.0 108.149 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -97.44 141.49 30.45 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.087 1.755 . . . . 0.0 110.601 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.51 134.08 45.17 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 113.4 -1.727 . . . . 0.0 112.156 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.53 -62.71 4.52 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 113.441 -1.709 . . . . 0.0 113.722 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.0 m -144.45 154.93 43.45 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.655 1.182 . . . . 0.0 111.929 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.2 m -104.71 142.67 34.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.876 169.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -89.51 176.18 7.0 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.191 -168.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.85 117.83 4.69 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.196 0.998 . . . . 0.0 112.413 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.85 -11.84 69.25 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 113.995 -1.457 . . . . 0.0 114.876 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -86.57 96.7 10.18 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 123.681 1.705 . . . . 0.0 110.88 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.83 133.49 41.88 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 112.391 -2.186 . . . . 0.0 110.236 -177.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -73.62 81.04 1.51 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 113.485 -1.689 . . . . 0.0 113.585 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.1 m -55.46 -52.38 63.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 112.112 -2.313 . . . . 0.0 113.947 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.48 85.57 2.43 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 125.282 1.613 . . . . 0.0 106.681 164.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 p -46.75 -53.31 12.12 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 111.259 -2.701 . . . . 0.0 113.194 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -109.88 120.22 41.78 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 125.345 1.653 . . . . 0.0 108.928 164.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -122.39 -85.24 0.66 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 111.852 -2.431 . . . . 0.0 109.765 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 p -135.75 99.39 4.17 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mp 51.48 -98.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 129.053 2.941 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 pp -100.64 5.83 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.38 109.55 18.51 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.45 1.5 . . . . 0.0 109.81 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -128.19 148.63 50.62 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 113.053 -1.885 . . . . 0.0 111.884 -175.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 33.8 m -87.82 120.99 29.69 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.245 -172.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 89.3 m -135.03 138.87 44.35 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.58 1.175 . . . . 0.0 113.197 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.435 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 1.4 tpm_? -126.37 130.17 50.23 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.13 177.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.435 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 40.5 tttp . . . . . 0 N--CA 1.466 0.35 0 CA-C-N 114.26 -1.336 . . . . 0.0 108.396 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.7 98.7 11.58 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 113.673 -1.603 . . . . 0.0 111.812 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.49 156.64 29.2 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 113.813 -1.539 . . . . 0.0 112.544 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -80.28 108.08 13.6 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 112.987 -1.915 . . . . 0.0 109.638 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 85.9 m -79.98 112.36 17.21 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 112.373 -2.194 . . . . 0.0 114.403 -173.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 N--CA 1.473 0.697 0 CA-C-N 114.48 -1.236 . . . . 0.0 114.292 172.635 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 N--CA 1.473 0.676 0 CA-C-O 122.292 1.044 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.438 ' HG1' ' CZ ' ' A' ' 45' ' ' ARG . 11.2 p -134.04 -64.37 0.7 Allowed 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 112.405 -2.18 . . . . 0.0 113.678 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.33 126.92 16.48 Favored Glycine 0 N--CA 1.476 1.332 0 C-N-CA 126.252 1.882 . . . . 0.0 115.206 -171.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 m -81.4 116.62 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 113.627 -1.287 . . . . 0.0 108.446 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.97 96.78 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 112.051 -2.34 . . . . 0.0 107.59 172.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -99.81 126.75 45.95 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 112.957 -1.929 . . . . 0.0 109.597 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.64 124.86 24.78 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.653 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.18 -83.63 0.42 Allowed Glycine 0 CA--C 1.534 1.233 0 CA-C-N 112.511 -2.131 . . . . 0.0 110.99 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.6 t -121.79 172.06 8.43 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 112.463 -1.869 . . . . 0.0 111.515 -174.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.6 m -109.1 173.78 6.16 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.235 1.414 . . . . 0.0 113.051 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -101.78 164.15 11.88 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 113.833 -1.531 . . . . 0.0 111.226 -171.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.75 118.93 5.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.662 1.185 . . . . 0.0 112.249 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.99 -2.47 87.08 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-N 114.634 -1.167 . . . . 0.0 114.662 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -104.67 96.27 6.46 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 123.447 1.594 . . . . 0.0 109.546 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.35 145.33 26.81 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 112.617 -2.083 . . . . 0.0 113.02 -177.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -55.1 113.84 1.52 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 113.155 -1.839 . . . . 0.0 115.046 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -100.27 -36.4 9.29 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 111.487 -2.597 . . . . 0.0 111.377 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -132.39 99.42 4.67 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 167.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 p -41.37 -67.15 0.27 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 113.085 -1.871 . . . . 0.0 115.087 -168.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -112.18 134.91 53.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.122 1.369 . . . . 0.0 109.977 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.7 -167.89 1.81 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 112.535 -2.12 . . . . 0.0 110.936 175.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.5 p -51.76 125.83 16.13 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . 0.402 10.9 pt 46.94 -91.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -175.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.0 pt -118.65 52.03 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-O 123.057 1.408 . . . . 0.0 112.691 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.49 145.55 45.26 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 114.324 -1.307 . . . . 0.0 113.186 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.26 137.15 54.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 113.731 -1.577 . . . . 0.0 110.421 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.3 t -102.78 116.17 32.04 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.478 1.132 . . . . 0.0 112.387 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 81.6 m -120.7 145.4 47.51 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 112.037 -2.347 . . . . 0.0 114.523 -175.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' CZ ' ' HG1' ' A' ' 18' ' ' THR . 13.1 ttt85 -114.29 144.62 42.95 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 112.01 -2.359 . . . . 0.0 108.709 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.2 tptt . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 122.29 1.043 . . . . 0.0 111.449 174.699 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.0 129.97 42.17 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 114.088 -1.414 . . . . 0.0 112.267 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t -116.46 129.18 56.08 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 113.52 -1.673 . . . . 0.0 112.867 -173.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -90.2 94.28 9.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 113.401 -1.727 . . . . 0.0 107.636 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.2 p -125.76 152.63 45.12 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 112.554 -2.112 . . . . 0.0 113.53 -168.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 116.791 2.145 . . . . 0.0 116.791 -165.749 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--O 1.239 0.541 0 CA-C-O 122.631 1.205 . . . . 0.0 113.342 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.8 p -109.32 -27.65 9.4 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.612 1.965 . . . . 0.0 112.796 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.29 140.53 41.54 Favored Glycine 0 N--CA 1.475 1.266 0 C-N-CA 125.773 1.654 . . . . 0.0 111.637 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 m -116.39 141.41 48.2 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 113.676 -1.262 . . . . 0.0 108.687 171.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.2 t -70.69 99.93 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 113.684 -1.598 . . . . 0.0 107.222 170.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -99.1 118.53 36.04 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 112.995 -1.911 . . . . 0.0 108.928 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.73 116.39 17.35 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.039 -1.437 . . . . 0.0 112.362 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.8 -70.33 1.74 Allowed Glycine 0 N--CA 1.472 1.077 0 C-N-CA 126.13 1.824 . . . . 0.0 112.37 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -115.68 150.18 37.2 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 113.561 -1.319 . . . . 0.0 112.417 -172.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.0 t -69.73 152.01 45.14 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.227 -1.351 . . . . 0.0 112.564 176.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -65.78 149.14 50.64 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.494 173.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 116.94 5.64 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 114.437 -1.256 . . . . 0.0 112.702 -174.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.87 27.38 72.38 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 113.614 -1.63 . . . . 0.0 114.68 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -107.64 140.49 40.59 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.939 0.876 . . . . 0.0 109.462 174.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -93.86 136.42 34.16 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.151 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -57.24 120.66 8.5 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.869 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.3 t -104.44 -44.26 4.97 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 112.508 -2.133 . . . . 0.0 112.44 -176.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.11 108.2 5.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.54 2.336 . . . . 0.0 107.548 166.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.8 p -50.34 -48.62 55.46 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 124.987 1.315 . . . . 0.0 113.38 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -127.9 129.72 47.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 114.267 -1.333 . . . . 0.0 108.282 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -109.01 -50.28 3.02 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 124.699 1.249 . . . . 0.0 111.458 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.6 t -155.05 174.14 15.59 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.125 1.37 . . . . 0.0 110.686 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.3 pt -7.68 -75.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 129.041 2.936 . . . . 0.0 116.768 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.0 pt -123.32 36.01 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 124.442 1.089 . . . . 0.0 113.456 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -139.16 137.0 35.68 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 123.134 1.445 . . . . 0.0 114.126 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -114.68 159.87 20.02 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 111.599 -2.546 . . . . 0.0 109.313 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.6 m -122.44 116.28 23.69 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 123.084 1.421 . . . . 0.0 111.95 171.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -122.05 146.7 46.94 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 113.221 -1.808 . . . . 0.0 110.972 168.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -106.09 150.4 25.82 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 112.231 -2.259 . . . . 0.0 112.357 -174.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.4 tttm . . . . . 0 N--CA 1.473 0.688 0 CA-C-N 113.733 -1.576 . . . . 0.0 110.112 174.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.63 131.3 34.62 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 113.472 -1.694 . . . . 0.0 111.536 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.0 t -130.11 145.55 51.7 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.273 -1.785 . . . . 0.0 112.161 -175.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -78.21 129.34 34.98 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 112.717 -2.038 . . . . 0.0 111.186 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 m -85.99 152.84 22.6 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 113.888 -1.505 . . . . 0.0 113.68 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 N--CA 1.471 0.6 0 C-N-CA 126.004 1.721 . . . . 0.0 110.624 179.853 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 t -107.18 12.24 28.56 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 112.908 -1.951 . . . . 0.0 114.731 -165.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.32 145.28 18.66 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -101.88 137.27 40.39 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.261 -0.969 . . . . 0.0 109.355 -175.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.9 109.75 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.644 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -112.93 141.23 47.0 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 112.282 -2.235 . . . . 0.0 108.396 -177.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.5 tp -83.72 137.78 33.6 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.153 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.22 -78.22 2.0 Allowed Glycine 0 N--CA 1.473 1.125 0 CA-C-N 114.037 -1.438 . . . . 0.0 113.735 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -151.64 148.35 27.84 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.852 0.861 . . . . 0.0 112.86 -174.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.0 m -62.23 100.21 0.16 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 113.779 -1.555 . . . . 0.0 109.813 168.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -98.23 -147.03 0.32 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 113.297 -1.774 . . . . 0.0 113.498 -167.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.89 104.8 0.21 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.302 1.041 . . . . 0.0 113.342 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.38 11.4 82.14 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 113.495 -1.684 . . . . 0.0 115.26 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -108.09 117.71 34.85 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.333 1.063 . . . . 0.0 109.966 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -92.81 139.34 30.64 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 113.465 -1.698 . . . . 0.0 109.546 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -58.08 123.69 16.78 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.391 1.091 . . . . 0.0 111.939 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.5 t -99.42 -65.36 0.97 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 112.743 -2.026 . . . . 0.0 108.709 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -138.83 128.23 24.38 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.523 1.129 . . . . 0.0 109.264 173.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.1 p -55.07 -39.07 68.85 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -175.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -128.77 140.33 51.77 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.198 0.599 . . . . 0.0 112.318 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -125.22 -76.91 0.59 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 113.58 -1.646 . . . . 0.0 110.532 166.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -139.95 120.19 13.85 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.393 1.077 . . . . 0.0 112.528 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . 0.363 10.3 pt 40.12 -92.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 127.318 2.247 . . . . 0.0 115.993 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.8 pt -100.0 25.53 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.3 132.14 50.34 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.359 1.463 . . . . 0.0 113.176 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -127.01 152.05 47.76 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 111.545 -2.57 . . . . 0.0 110.592 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 29.2 m -94.11 121.49 35.67 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.743 1.259 . . . . 0.0 110.669 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.1 m -131.55 137.39 48.46 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 112.081 -2.327 . . . . 0.0 109.556 -175.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.7 ttp-105 -113.64 113.97 25.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.011 1.725 . . . . 0.0 108.617 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 76.7 tttt . . . . . 0 N--CA 1.471 0.578 0 CA-C-N 114.445 -1.252 . . . . 0.0 112.843 -171.291 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.85 131.09 45.45 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.083 -1.417 . . . . 0.0 112.919 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.1 t -132.52 148.79 52.39 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 112.625 -2.08 . . . . 0.0 113.453 -172.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -71.93 130.38 40.86 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.969 174.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.64 147.37 51.45 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -114.26 -28.76 7.15 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 112.314 -2.221 . . . . 0.0 115.503 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -115.32 71.85 0.78 Allowed 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 122.316 1.055 . . . . 0.0 113.239 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.58 73.14 2.58 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.028 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.56 -112.08 1.09 Allowed Glycine 0 N--CA 1.472 1.035 0 C-N-CA 126.515 2.007 . . . . 0.0 112.909 173.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -62.7 -55.04 0.96 Allowed 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 122.904 2.403 . . . . 0.0 113.311 171.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -96.56 68.68 2.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 123.059 1.409 . . . . 0.0 111.791 -174.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.301 9.3 pt -38.4 -81.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 110.821 -2.9 . . . . 0.0 117.83 -171.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.5 85.8 5.03 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.626 1.204 . . . . 0.0 112.069 177.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.9 p -126.76 -77.55 0.58 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 112.793 -2.003 . . . . 0.0 112.942 173.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.14 106.23 46.9 Favored Pre-proline 0 N--CA 1.467 0.412 0 C-N-CA 126.814 2.046 . . . . 0.0 111.482 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -61.77 -74.33 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.859 3.039 . . . . 0.0 114.855 -174.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 tp -76.17 93.92 3.43 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.231 0.612 . . . . 0.0 110.621 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.5 p -136.03 -60.54 0.73 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 113.625 -1.625 . . . . 0.0 113.061 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.98 150.59 0.92 Allowed Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.405 1.479 . . . . 0.0 115.264 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 m -108.96 139.78 43.36 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 112.417 -1.891 . . . . 0.0 108.213 173.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.9 t -67.04 108.47 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 122.81 1.29 . . . . 0.0 109.409 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -111.67 163.92 13.6 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.509 2.324 . . . . 0.0 108.815 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.52 116.44 30.75 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.6 -80.86 0.03 OUTLIER Glycine 0 N--CA 1.473 1.119 0 C-N-CA 126.299 1.904 . . . . 0.0 114.59 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 p -125.38 146.15 49.72 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.287 1.435 . . . . 0.0 112.482 -173.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.1 m -100.28 146.14 27.28 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -72.85 146.15 46.43 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.6 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.42 124.52 6.95 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.389 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.12 -47.42 1.03 Allowed Glycine 0 N--CA 1.473 1.117 0 CA-C-N 113.74 -1.573 . . . . 0.0 111.066 -169.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -84.55 98.07 9.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.862 1.315 . . . . 0.0 110.094 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -76.53 116.7 17.46 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 112.962 -1.927 . . . . 0.0 110.993 -176.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -57.01 96.26 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 O-C-N 125.251 1.594 . . . . 0.0 112.535 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.8 p -94.54 -28.25 15.52 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 112.988 -1.914 . . . . 0.0 115.441 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.22 90.5 2.69 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 158.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 p -49.21 -39.75 30.97 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 113.329 -1.76 . . . . 0.0 114.879 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -130.54 140.55 50.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.125 1.37 . . . . 0.0 108.758 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -121.69 -67.31 0.97 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.439 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -135.35 167.98 20.04 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.512 1.525 . . . . 0.0 110.794 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . 0.332 16.8 tt 9.18 -88.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 127.257 2.223 . . . . 0.0 116.708 176.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.17 37.53 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 171.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.74 138.9 52.92 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.47 1.508 . . . . 0.0 112.341 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -130.52 163.52 26.86 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 127.261 2.224 . . . . 0.0 111.287 -177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.5 m -123.92 121.96 36.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -126.37 147.56 49.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 113.015 -1.902 . . . . 0.0 114.011 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.467 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -118.29 134.6 54.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.161 175.284 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.467 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 48.5 tptt -71.19 108.86 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.459 0.704 . . . . 0.0 111.728 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 65.12 -46.41 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 129.334 3.053 . . . . 0.0 118.453 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.7 mttt . . . . . 0 C--O 1.247 0.939 0 C-N-CA 127.268 2.227 . . . . 0.0 113.591 -175.032 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.99 135.74 36.16 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.546 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 p -136.48 154.21 50.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 123.073 1.416 . . . . 0.0 113.338 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -95.96 146.38 24.65 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 112.57 -2.105 . . . . 0.0 111.135 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.6 m -116.34 143.49 45.48 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 117.651 2.464 . . . . 0.0 117.651 -167.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.11 -35.88 56.01 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 112.057 -2.338 . . . . 0.0 113.53 170.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -78.63 39.97 0.36 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 126.156 1.782 . . . . 0.0 111.914 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -158.19 -65.4 0.09 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 128.138 2.575 . . . . 0.0 107.947 -172.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.39 129.99 6.23 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 172.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -54.04 -33.11 71.89 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.43 2.753 . . . . 0.0 114.281 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -100.94 108.83 20.68 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 166.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 pt -35.17 -49.7 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 173.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.21 -27.81 69.24 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -176.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 38.2 p -110.73 45.23 1.17 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.588 1.155 . . . . 0.0 110.981 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.58 119.75 13.12 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 125.539 1.536 . . . . 0.0 110.443 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -73.65 73.24 3.54 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 123.954 3.103 . . . . 0.0 116.182 -173.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 64.79 -97.57 0.06 Allowed 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 127.878 2.471 . . . . 0.0 114.031 172.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.7 p 47.78 10.9 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 118.68 2.845 . . . . 0.0 118.68 -170.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.48 152.27 21.93 Favored Glycine 0 CA--C 1.524 0.633 0 CA-C-O 123.191 1.439 . . . . 0.0 116.174 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -119.76 140.49 50.65 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 112.891 -1.654 . . . . 0.0 107.303 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.75 104.28 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 114.139 -1.392 . . . . 0.0 107.457 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -96.05 125.92 40.92 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 113.814 -1.539 . . . . 0.0 109.688 -175.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.48 119.22 6.14 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 112.714 -2.039 . . . . 0.0 110.628 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.13 -80.87 1.22 Allowed Glycine 0 N--CA 1.474 1.219 0 CA-C-N 113.666 -1.606 . . . . 0.0 109.606 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.4 t -144.87 -170.02 3.31 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 112.326 -1.937 . . . . 0.0 109.632 -176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.9 m -66.01 129.53 40.13 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.648 1.179 . . . . 0.0 112.378 175.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -74.36 170.13 16.27 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.548 175.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.49 122.57 11.56 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.666 0.787 . . . . 0.0 111.008 172.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.58 29.66 54.93 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-N 113.431 -1.713 . . . . 0.0 114.818 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -123.47 147.8 46.84 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.252 1.025 . . . . 0.0 112.291 178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -113.41 138.26 50.34 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.292 1.837 . . . . 0.0 110.797 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.56 107.13 3.27 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.85 1.309 . . . . 0.0 113.728 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -86.68 -41.08 14.48 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 112.518 -2.128 . . . . 0.0 112.177 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.35 97.35 2.27 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 127.491 2.316 . . . . 0.0 105.27 163.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 m -37.91 -31.79 0.05 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.575 2.35 . . . . 0.0 117.082 -172.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -132.31 142.74 49.47 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.46 1.504 . . . . 0.0 108.557 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.08 -59.92 1.09 Allowed 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 114.624 -1.171 . . . . 0.0 108.934 165.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.6 p -129.39 159.73 35.29 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.33 1.452 . . . . 0.0 107.994 166.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.3 pt -43.21 -27.38 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 116.731 2.123 . . . . 0.0 116.731 169.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.5 pt -107.47 0.99 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 N-CA-C 115.578 1.695 . . . . 0.0 115.578 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -166.75 136.48 3.04 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.919 0.866 . . . . 0.0 112.759 -174.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -112.56 157.17 21.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.296 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.4 t -87.37 109.1 19.31 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.237 1.018 . . . . 0.0 108.547 170.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.6 t -129.03 148.38 50.98 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 113.081 -1.872 . . . . 0.0 110.686 -173.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -115.45 145.31 42.7 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.424 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -73.1 129.96 39.24 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.597 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -72.94 96.02 2.06 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 122.642 1.21 . . . . 0.0 111.727 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? . . . . . 0 C--O 1.257 1.463 0 CA-C-N 113.321 -1.763 . . . . 0.0 114.144 179.075 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.447 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.27 128.75 37.55 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.237 -1.347 . . . . 0.0 112.678 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.0 t -120.53 142.17 49.57 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 125.188 1.395 . . . . 0.0 112.754 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -73.27 105.26 4.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.279 168.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.1 m -69.12 98.5 1.0 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 113.365 -1.743 . . . . 0.0 113.694 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -48.38 -46.11 36.64 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 173.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.16 61.51 1.08 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 122.542 1.163 . . . . 0.0 111.052 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -89.79 70.49 7.67 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 113.869 -1.514 . . . . 0.0 107.47 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.1 -98.08 2.33 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 112.191 -2.277 . . . . 0.0 107.497 -169.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -70.88 178.72 4.95 Favored 'Trans proline' 0 C--N 1.33 -0.417 0 C-N-CA 122.821 2.347 . . . . 0.0 110.427 167.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.98 96.13 8.68 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 122.748 1.261 . . . . 0.0 111.266 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 pt -130.4 105.42 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 111.659 -2.518 . . . . 0.0 110.671 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.53 ' CZ ' ' H ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -56.1 -46.4 79.11 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 122.077 0.941 . . . . 0.0 112.045 177.64 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 p -83.15 64.98 7.98 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.616 1.566 . . . . 0.0 110.858 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.91 142.32 24.38 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 112.857 -1.974 . . . . 0.0 113.097 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -68.75 63.38 1.26 Allowed 'Trans proline' 0 C--N 1.327 -0.602 0 C-N-CA 123.239 2.626 . . . . 0.0 114.986 172.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.7 mt 50.73 -88.34 0.01 OUTLIER 'General case' 0 C--O 1.237 0.445 0 C-N-CA 127.855 2.462 . . . . 0.0 115.96 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . 0.27 29.1 p 55.82 -25.09 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 129.746 3.219 . . . . 0.0 118.072 -173.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.86 167.97 12.74 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-O 122.953 1.307 . . . . 0.0 115.049 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.2 m -128.93 146.87 50.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 112.221 -1.99 . . . . 0.0 110.214 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 t -76.42 102.67 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 112.948 -1.933 . . . . 0.0 106.394 172.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -99.06 135.45 40.45 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 113.678 -1.601 . . . . 0.0 110.548 -173.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.3 mt -57.8 134.69 56.48 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.69 -85.79 0.64 Allowed Glycine 0 CA--C 1.528 0.892 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.389 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 t -120.26 -100.57 0.43 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 111.063 -2.569 . . . . 0.0 108.891 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 96.4 m -124.66 170.76 10.64 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.522 1.529 . . . . 0.0 112.013 170.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -109.56 164.71 12.27 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.35 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.59 115.32 1.73 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.75 -5.21 73.01 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 114.483 -1.235 . . . . 0.0 115.048 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -105.14 133.25 50.23 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.437 1.495 . . . . 0.0 109.066 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -122.45 148.19 45.42 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.566 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -59.89 122.89 15.4 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 22.0 p -109.4 -32.23 7.24 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 113.121 -1.854 . . . . 0.0 113.343 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.44 106.73 8.43 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.144 1.378 . . . . 0.0 107.523 165.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 p -48.8 -60.69 2.53 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 113.067 -1.878 . . . . 0.0 115.163 -170.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -110.51 127.75 55.32 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.919 0.866 . . . . 0.0 110.313 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -120.2 -71.75 0.72 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 112.697 -2.047 . . . . 0.0 108.418 171.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.4 p -130.23 152.24 49.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.836 1.255 . . . . 0.0 109.209 166.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.7 tp -44.65 -31.16 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.8 pp -106.65 2.77 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -168.01 119.83 0.85 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.485 1.114 . . . . 0.0 112.09 -174.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -115.5 157.76 23.57 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 113.953 -1.476 . . . . 0.0 113.245 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.9 t -94.0 110.1 21.81 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 123.891 1.805 . . . . 0.0 113.034 -169.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.2 m -119.73 145.8 46.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.453 -2.612 . . . . 0.0 111.439 -172.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -111.6 143.51 42.36 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.4 1.88 . . . . 0.0 108.984 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -77.02 89.41 3.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.883 1.325 . . . . 0.0 111.072 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -152.48 138.27 17.96 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 112.636 -2.074 . . . . 0.0 110.338 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm . . . . . 0 C--O 1.252 1.208 0 CA-C-O 116.209 -1.853 . . . . 0.0 114.761 -175.465 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.24 134.36 34.54 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.584 -2.098 . . . . 0.0 112.22 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.1 p -134.18 159.1 41.94 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 113.604 -1.635 . . . . 0.0 113.143 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -73.82 124.28 25.8 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.76 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.1 t -98.96 131.85 44.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 111.239 -2.71 . . . . 0.0 108.872 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -99.67 -46.45 5.42 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 111.358 -2.655 . . . . 0.0 109.846 172.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -100.76 86.92 3.2 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 122.982 1.372 . . . . 0.0 110.959 -175.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -86.41 72.49 10.3 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 113.613 -1.631 . . . . 0.0 107.578 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.39 -115.87 8.39 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 112.304 -2.225 . . . . 0.0 109.423 -170.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -69.51 -29.2 25.44 Favored 'Trans proline' 0 C--N 1.331 -0.369 0 C-N-CA 122.624 2.216 . . . . 0.0 114.381 170.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -81.28 96.36 7.26 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.798 1.239 . . . . 0.0 112.707 -169.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.259 1.1 pp -78.54 90.99 1.3 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-O 123.252 1.501 . . . . 0.0 114.44 168.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.67 105.25 8.86 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 111.419 -2.628 . . . . 0.0 105.255 173.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 48.5 p -84.26 65.3 8.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 112.314 -2.221 . . . . 0.0 111.35 -169.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -157.16 -51.07 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.513 0 N-CA-C 120.742 3.608 . . . . 0.0 120.742 -175.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.15 128.1 26.46 Favored 'Trans proline' 0 C--N 1.332 -0.314 0 C-N-CA 124.296 3.331 . . . . 0.0 112.287 -173.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.06 28.78 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.9 p -100.46 68.7 1.39 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.738 -169.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -164.49 158.42 31.1 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-N 111.78 -2.464 . . . . 0.0 110.615 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 m -112.35 139.5 47.85 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 126.037 1.735 . . . . 0.0 108.455 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 t -72.82 115.47 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.311 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -112.96 142.77 45.26 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 114.003 -1.453 . . . . 0.0 109.702 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -84.46 129.46 34.86 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.059 -0.973 . . . . 0.0 113.341 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.09 -87.61 0.18 Allowed Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.59 1.567 . . . . 0.0 112.913 -177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 t -128.42 155.77 44.22 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 113.301 -1.45 . . . . 0.0 110.839 -171.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 89.5 m -105.25 132.6 51.25 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 122.33 1.062 . . . . 0.0 113.255 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -79.02 161.6 26.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 112.937 -1.938 . . . . 0.0 112.269 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.47 121.58 6.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.092 0.957 . . . . 0.0 111.252 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.16 -22.35 14.08 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 114.114 -1.403 . . . . 0.0 113.279 -171.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -101.37 114.68 28.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.148 1.451 . . . . 0.0 110.903 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 113.85 21.84 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 113.218 -1.81 . . . . 0.0 108.678 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.61 98.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 123.6 1.667 . . . . 0.0 114.294 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -53.14 15.96 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 111.673 -2.512 . . . . 0.0 112.993 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.47 100.39 4.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.282 1.833 . . . . 0.0 106.524 171.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.5 p -45.98 -38.87 8.22 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 112.619 -2.082 . . . . 0.0 114.6 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -123.37 137.19 54.88 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 122.075 0.941 . . . . 0.0 110.653 172.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -139.06 175.51 9.49 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 112.803 -1.999 . . . . 0.0 109.855 173.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.4 p -40.73 120.21 1.25 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.142 2.275 . . . . 0.0 117.142 -169.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . 0.262 4.0 mp 60.45 -92.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 112.054 -2.339 . . . . 0.0 111.068 -178.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -123.55 47.52 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 123.585 1.659 . . . . 0.0 113.953 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.31 156.3 43.28 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 113.535 -1.666 . . . . 0.0 111.965 -176.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -136.36 133.99 37.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.119 -1.4 . . . . 0.0 111.253 170.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.7 t -89.31 118.27 28.87 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.394 -177.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.0 m -137.59 150.86 47.78 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.69 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.603 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 2.9 tpm_? -119.17 136.24 54.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.964 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.603 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 6.6 tmtt? -84.15 106.67 15.97 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 123.247 1.499 . . . . 0.0 110.389 -175.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -78.18 82.53 4.49 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 112.636 -2.075 . . . . 0.0 112.39 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 pttm . . . . . 0 C--O 1.25 1.105 0 CA-C-N 112.541 -2.118 . . . . 0.0 114.384 178.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.17 108.54 19.66 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 113.336 -1.756 . . . . 0.0 111.588 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.2 t -113.29 154.99 25.91 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 112.233 -2.258 . . . . 0.0 111.897 -173.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -60.05 141.39 55.8 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 m -113.26 91.83 3.79 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.41 -24.34 42.6 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 111.958 -2.383 . . . . 0.0 113.577 172.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -121.53 83.48 2.09 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 122.223 1.011 . . . . 0.0 111.739 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -136.37 92.06 2.73 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.285 2.234 . . . . 0.0 110.988 171.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.64 -123.52 11.52 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 112.854 -1.976 . . . . 0.0 112.326 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -70.14 75.13 1.4 Allowed 'Trans proline' 0 C--N 1.33 -0.43 0 C-N-CA 122.873 2.382 . . . . 0.0 109.886 167.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 61.92 -72.7 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.454 2.302 . . . . 0.0 115.123 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 pp -128.17 78.52 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -168.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -81.4 -83.25 0.12 Allowed 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.22 168.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.1 p -85.88 58.37 5.01 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.849 1.309 . . . . 0.0 113.383 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.47 -43.94 81.39 Favored Pre-proline 0 N--CA 1.476 0.866 0 N-CA-C 119.984 3.327 . . . . 0.0 119.984 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -73.63 -152.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.325 -0.663 0 C-N-CA 122.103 1.869 . . . . 0.0 111.422 -177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.49 90.71 3.88 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.104 0.962 . . . . 0.0 111.647 -173.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.7 p -129.17 -59.87 1.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.022 -1.445 . . . . 0.0 112.979 -176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.3 118.19 2.31 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 127.556 2.503 . . . . 0.0 113.169 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.5 m -74.85 123.52 25.19 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 112.941 -1.63 . . . . 0.0 107.799 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.1 97.83 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 113.906 -1.497 . . . . 0.0 108.149 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -97.44 141.49 30.45 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.087 1.755 . . . . 0.0 110.601 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.51 134.08 45.17 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 113.4 -1.727 . . . . 0.0 112.156 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.53 -62.71 4.52 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 113.441 -1.709 . . . . 0.0 113.722 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.0 m -144.45 154.93 43.45 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.655 1.182 . . . . 0.0 111.929 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.2 m -104.71 142.67 34.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.876 169.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -89.51 176.18 7.0 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.191 -168.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.85 117.83 4.69 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.196 0.998 . . . . 0.0 112.413 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.85 -11.84 69.25 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 113.995 -1.457 . . . . 0.0 114.876 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -86.57 96.7 10.18 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 123.681 1.705 . . . . 0.0 110.88 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.83 133.49 41.88 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 112.391 -2.186 . . . . 0.0 110.236 -177.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -73.62 81.04 1.51 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 113.485 -1.689 . . . . 0.0 113.585 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.1 m -55.46 -52.38 63.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 112.112 -2.313 . . . . 0.0 113.947 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.48 85.57 2.43 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 125.282 1.613 . . . . 0.0 106.681 164.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 p -46.75 -53.31 12.12 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 111.259 -2.701 . . . . 0.0 113.194 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -109.88 120.22 41.78 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 125.345 1.653 . . . . 0.0 108.928 164.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -122.39 -85.24 0.66 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 111.852 -2.431 . . . . 0.0 109.765 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 p -135.75 99.39 4.17 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mp 51.48 -98.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 129.053 2.941 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 pp -100.64 5.83 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.38 109.55 18.51 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.45 1.5 . . . . 0.0 109.81 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -128.19 148.63 50.62 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 113.053 -1.885 . . . . 0.0 111.884 -175.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 33.8 m -87.82 120.99 29.69 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.245 -172.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 89.3 m -135.03 138.87 44.35 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.58 1.175 . . . . 0.0 113.197 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.435 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 1.4 tpm_? -126.37 130.17 50.23 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.13 177.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.435 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 40.5 tttp -73.33 108.64 6.31 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.26 -1.336 . . . . 0.0 108.396 177.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -7.06 93.58 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 118.248 2.684 . . . . 0.0 118.248 -175.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--O 1.247 0.95 0 CA-C-N 112.828 -1.987 . . . . 0.0 112.795 175.897 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.7 98.7 11.58 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 113.673 -1.603 . . . . 0.0 111.812 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.49 156.64 29.2 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 113.813 -1.539 . . . . 0.0 112.544 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -80.28 108.08 13.6 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 112.987 -1.915 . . . . 0.0 109.638 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 85.9 m -79.98 112.36 17.21 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 112.373 -2.194 . . . . 0.0 114.403 -173.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.13 -41.67 97.12 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.48 -1.236 . . . . 0.0 114.292 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -87.52 74.69 9.25 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 169.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -69.41 75.35 0.38 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 111.955 -2.384 . . . . 0.0 110.992 -176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.1 155.75 12.27 Favored Glycine 0 N--CA 1.47 0.961 0 CA-C-N 112.631 -2.077 . . . . 0.0 113.276 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -59.24 -9.49 8.49 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 123.797 2.998 . . . . 0.0 115.798 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.28 65.07 4.55 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 123.149 1.452 . . . . 0.0 112.044 -172.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.38 88.63 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 114.072 -1.422 . . . . 0.0 107.182 175.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -73.68 -37.78 65.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 112.25 -2.25 . . . . 0.0 113.292 173.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 p -126.49 -79.14 0.59 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 113.905 -1.498 . . . . 0.0 112.615 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.44 -169.1 0.21 Allowed Pre-proline 0 C--O 1.234 0.286 0 C-N-CA 126.956 2.102 . . . . 0.0 109.727 -176.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -56.58 -31.2 85.94 Favored 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 122.296 1.997 . . . . 0.0 112.84 156.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.8 mt -75.19 93.21 2.78 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.722 1.209 . . . . 0.0 110.84 168.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.438 ' HG1' ' CZ ' ' A' ' 45' ' ' ARG . 11.2 p -134.04 -64.37 0.7 Allowed 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 112.405 -2.18 . . . . 0.0 113.678 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.33 126.92 16.48 Favored Glycine 0 N--CA 1.476 1.332 0 C-N-CA 126.252 1.882 . . . . 0.0 115.206 -171.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 m -81.4 116.62 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 113.627 -1.287 . . . . 0.0 108.446 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.97 96.78 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 112.051 -2.34 . . . . 0.0 107.59 172.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -99.81 126.75 45.95 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 112.957 -1.929 . . . . 0.0 109.597 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.64 124.86 24.78 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.653 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.18 -83.63 0.42 Allowed Glycine 0 CA--C 1.534 1.233 0 CA-C-N 112.511 -2.131 . . . . 0.0 110.99 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.6 t -121.79 172.06 8.43 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 112.463 -1.869 . . . . 0.0 111.515 -174.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.6 m -109.1 173.78 6.16 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.235 1.414 . . . . 0.0 113.051 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -101.78 164.15 11.88 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 113.833 -1.531 . . . . 0.0 111.226 -171.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.75 118.93 5.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.662 1.185 . . . . 0.0 112.249 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.99 -2.47 87.08 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-N 114.634 -1.167 . . . . 0.0 114.662 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -104.67 96.27 6.46 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 123.447 1.594 . . . . 0.0 109.546 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.35 145.33 26.81 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 112.617 -2.083 . . . . 0.0 113.02 -177.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -55.1 113.84 1.52 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 113.155 -1.839 . . . . 0.0 115.046 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -100.27 -36.4 9.29 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 111.487 -2.597 . . . . 0.0 111.377 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -132.39 99.42 4.67 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 167.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 p -41.37 -67.15 0.27 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 113.085 -1.871 . . . . 0.0 115.087 -168.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -112.18 134.91 53.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.122 1.369 . . . . 0.0 109.977 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.7 -167.89 1.81 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 112.535 -2.12 . . . . 0.0 110.936 175.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.5 p -51.76 125.83 16.13 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . 0.402 10.9 pt 46.94 -91.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -175.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.0 pt -118.65 52.03 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-O 123.057 1.408 . . . . 0.0 112.691 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.49 145.55 45.26 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 114.324 -1.307 . . . . 0.0 113.186 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.26 137.15 54.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 113.731 -1.577 . . . . 0.0 110.421 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.3 t -102.78 116.17 32.04 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.478 1.132 . . . . 0.0 112.387 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 81.6 m -120.7 145.4 47.51 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 112.037 -2.347 . . . . 0.0 114.523 -175.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' CZ ' ' HG1' ' A' ' 18' ' ' THR . 13.1 ttt85 -114.29 144.62 42.95 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 112.01 -2.359 . . . . 0.0 108.709 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -69.31 91.87 0.56 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 122.29 1.043 . . . . 0.0 111.449 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -148.81 101.01 3.15 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 113.238 -1.801 . . . . 0.0 110.18 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.254 0.0 OUTLIER . . . . . 0 C--O 1.244 0.801 0 N-CA-C 119.905 3.298 . . . . 0.0 119.905 177.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.0 129.97 42.17 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 114.088 -1.414 . . . . 0.0 112.267 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t -116.46 129.18 56.08 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 113.52 -1.673 . . . . 0.0 112.867 -173.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -90.2 94.28 9.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 113.401 -1.727 . . . . 0.0 107.636 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.2 p -125.76 152.63 45.12 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 112.554 -2.112 . . . . 0.0 113.53 -168.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -30.62 -66.58 0.1 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 116.791 2.145 . . . . 0.0 116.791 -165.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -81.33 26.08 0.47 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 117.678 2.473 . . . . 0.0 117.678 -170.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -97.56 60.67 1.59 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 122.651 1.215 . . . . 0.0 111.321 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 46.45 -117.48 2.88 Favored Glycine 0 N--CA 1.47 0.948 0 C-N-CA 126.128 1.823 . . . . 0.0 113.601 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.7 69.79 7.64 Favored 'Trans proline' 0 N--CA 1.477 0.558 0 C-N-CA 122.548 2.165 . . . . 0.0 111.242 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.84 -6.05 5.28 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -171.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 mp -89.22 93.6 4.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 78.44 -56.37 0.47 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 127.151 2.18 . . . . 0.0 112.968 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 p -84.83 53.32 2.67 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.337 1.855 . . . . 0.0 112.6 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.71 132.21 27.79 Favored Pre-proline 0 N--CA 1.469 0.511 0 CA-C-N 113.481 -1.691 . . . . 0.0 112.083 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -66.44 87.27 0.27 Allowed 'Trans proline' 0 C--N 1.329 -0.481 0 C-N-CA 122.885 2.39 . . . . 0.0 109.59 164.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.48 80.69 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 126.417 1.887 . . . . 0.0 113.342 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.8 p -109.32 -27.65 9.4 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.612 1.965 . . . . 0.0 112.796 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.29 140.53 41.54 Favored Glycine 0 N--CA 1.475 1.266 0 C-N-CA 125.773 1.654 . . . . 0.0 111.637 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 m -116.39 141.41 48.2 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 113.676 -1.262 . . . . 0.0 108.687 171.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.2 t -70.69 99.93 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 113.684 -1.598 . . . . 0.0 107.222 170.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -99.1 118.53 36.04 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 112.995 -1.911 . . . . 0.0 108.928 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.73 116.39 17.35 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.039 -1.437 . . . . 0.0 112.362 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.8 -70.33 1.74 Allowed Glycine 0 N--CA 1.472 1.077 0 C-N-CA 126.13 1.824 . . . . 0.0 112.37 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -115.68 150.18 37.2 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 113.561 -1.319 . . . . 0.0 112.417 -172.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.0 t -69.73 152.01 45.14 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.227 -1.351 . . . . 0.0 112.564 176.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -65.78 149.14 50.64 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.494 173.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 116.94 5.64 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 114.437 -1.256 . . . . 0.0 112.702 -174.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.87 27.38 72.38 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 113.614 -1.63 . . . . 0.0 114.68 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -107.64 140.49 40.59 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.939 0.876 . . . . 0.0 109.462 174.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -93.86 136.42 34.16 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.151 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -57.24 120.66 8.5 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.869 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.3 t -104.44 -44.26 4.97 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 112.508 -2.133 . . . . 0.0 112.44 -176.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.11 108.2 5.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.54 2.336 . . . . 0.0 107.548 166.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.8 p -50.34 -48.62 55.46 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 124.987 1.315 . . . . 0.0 113.38 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -127.9 129.72 47.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 114.267 -1.333 . . . . 0.0 108.282 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -109.01 -50.28 3.02 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 124.699 1.249 . . . . 0.0 111.458 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.6 t -155.05 174.14 15.59 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.125 1.37 . . . . 0.0 110.686 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.3 pt -7.68 -75.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 129.041 2.936 . . . . 0.0 116.768 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.0 pt -123.32 36.01 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 124.442 1.089 . . . . 0.0 113.456 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -139.16 137.0 35.68 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 123.134 1.445 . . . . 0.0 114.126 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -114.68 159.87 20.02 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 111.599 -2.546 . . . . 0.0 109.313 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.6 m -122.44 116.28 23.69 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 123.084 1.421 . . . . 0.0 111.95 171.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -122.05 146.7 46.94 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 113.221 -1.808 . . . . 0.0 110.972 168.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -106.09 150.4 25.82 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 112.231 -2.259 . . . . 0.0 112.357 -174.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -68.24 95.22 0.57 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 113.733 -1.576 . . . . 0.0 110.112 174.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -157.07 115.62 3.27 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 111.519 -2.582 . . . . 0.0 106.505 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt . . . . . 0 C--O 1.249 1.078 0 CA-C-N 114.375 -1.284 . . . . 0.0 113.404 -173.327 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.63 131.3 34.62 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 113.472 -1.694 . . . . 0.0 111.536 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.0 t -130.11 145.55 51.7 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.273 -1.785 . . . . 0.0 112.161 -175.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -78.21 129.34 34.98 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 112.717 -2.038 . . . . 0.0 111.186 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 m -85.99 152.84 22.6 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 113.888 -1.505 . . . . 0.0 113.68 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -76.96 79.45 3.51 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.004 1.721 . . . . 0.0 110.624 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 52.2 86.81 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 173.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -86.87 66.29 9.37 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 113.53 -1.668 . . . . 0.0 110.895 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.65 -107.8 1.15 Allowed Glycine 0 CA--C 1.532 1.147 0 CA-C-N 112.503 -2.135 . . . . 0.0 110.872 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -59.94 -33.89 95.47 Favored 'Trans proline' 0 C--N 1.328 -0.522 0 C-N-CA 123.08 2.52 . . . . 0.0 114.462 172.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -83.27 80.65 9.0 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 tp -125.62 -60.65 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 110.555 -3.021 . . . . 0.0 110.825 166.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.8 mtm105 -59.31 -44.43 92.55 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.588 0.755 . . . . 0.0 111.892 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -84.69 85.64 7.42 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 122.648 1.213 . . . . 0.0 108.639 164.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -37.04 108.7 0.41 Allowed Pre-proline 0 N--CA 1.468 0.433 0 CA-C-N 111.947 -2.388 . . . . 0.0 115.864 -176.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.05 70.13 7.21 Favored 'Trans proline' 0 C--N 1.324 -0.75 0 C-N-CA 123.434 2.756 . . . . 0.0 112.648 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -73.9 32.61 0.08 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.247 1.819 . . . . 0.0 114.606 175.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 t -107.18 12.24 28.56 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 112.908 -1.951 . . . . 0.0 114.731 -165.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.32 145.28 18.66 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -101.88 137.27 40.39 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.261 -0.969 . . . . 0.0 109.355 -175.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.9 109.75 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.644 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -112.93 141.23 47.0 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 112.282 -2.235 . . . . 0.0 108.396 -177.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.5 tp -83.72 137.78 33.6 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.153 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.22 -78.22 2.0 Allowed Glycine 0 N--CA 1.473 1.125 0 CA-C-N 114.037 -1.438 . . . . 0.0 113.735 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -151.64 148.35 27.84 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.852 0.861 . . . . 0.0 112.86 -174.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.0 m -62.23 100.21 0.16 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 113.779 -1.555 . . . . 0.0 109.813 168.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -98.23 -147.03 0.32 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 113.297 -1.774 . . . . 0.0 113.498 -167.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.89 104.8 0.21 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.302 1.041 . . . . 0.0 113.342 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.38 11.4 82.14 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 113.495 -1.684 . . . . 0.0 115.26 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -108.09 117.71 34.85 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.333 1.063 . . . . 0.0 109.966 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -92.81 139.34 30.64 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 113.465 -1.698 . . . . 0.0 109.546 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -58.08 123.69 16.78 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.391 1.091 . . . . 0.0 111.939 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.5 t -99.42 -65.36 0.97 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 112.743 -2.026 . . . . 0.0 108.709 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -138.83 128.23 24.38 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.523 1.129 . . . . 0.0 109.264 173.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.1 p -55.07 -39.07 68.85 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -175.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -128.77 140.33 51.77 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.198 0.599 . . . . 0.0 112.318 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -125.22 -76.91 0.59 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 113.58 -1.646 . . . . 0.0 110.532 166.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -139.95 120.19 13.85 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.393 1.077 . . . . 0.0 112.528 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . 0.363 10.3 pt 40.12 -92.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 127.318 2.247 . . . . 0.0 115.993 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.8 pt -100.0 25.53 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.3 132.14 50.34 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.359 1.463 . . . . 0.0 113.176 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -127.01 152.05 47.76 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 111.545 -2.57 . . . . 0.0 110.592 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 29.2 m -94.11 121.49 35.67 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.743 1.259 . . . . 0.0 110.669 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.1 m -131.55 137.39 48.46 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 112.081 -2.327 . . . . 0.0 109.556 -175.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.48 ' NE ' ' HZ2' ' A' ' 47' ' ' LYS . 29.7 ttp-105 -113.64 113.97 25.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.011 1.725 . . . . 0.0 108.617 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -77.04 120.36 22.03 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.445 -1.252 . . . . 0.0 112.843 -171.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HZ2' ' NE ' ' A' ' 45' ' ' ARG . 25.6 mmtm -98.61 89.35 4.35 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.05 1.74 . . . . 0.0 110.812 -178.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm . . . . . 0 C--O 1.258 1.529 0 CA-C-N 113.077 -1.874 . . . . 0.0 113.903 175.894 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.85 131.09 45.45 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.083 -1.417 . . . . 0.0 112.919 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.1 t -132.52 148.79 52.39 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 112.625 -2.08 . . . . 0.0 113.453 -172.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -71.93 130.38 40.86 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.969 174.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.64 147.37 51.45 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 N--CA 1.471 0.613 0 CA-C-N 112.314 -2.221 . . . . 0.0 115.503 -178.085 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 tp . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 121.336 0.589 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.5 p -136.03 -60.54 0.73 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 113.625 -1.625 . . . . 0.0 113.061 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.98 150.59 0.92 Allowed Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.405 1.479 . . . . 0.0 115.264 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 m -108.96 139.78 43.36 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 112.417 -1.891 . . . . 0.0 108.213 173.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.9 t -67.04 108.47 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 122.81 1.29 . . . . 0.0 109.409 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -111.67 163.92 13.6 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.509 2.324 . . . . 0.0 108.815 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.52 116.44 30.75 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.6 -80.86 0.03 OUTLIER Glycine 0 N--CA 1.473 1.119 0 C-N-CA 126.299 1.904 . . . . 0.0 114.59 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 p -125.38 146.15 49.72 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.287 1.435 . . . . 0.0 112.482 -173.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.1 m -100.28 146.14 27.28 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -72.85 146.15 46.43 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.6 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.42 124.52 6.95 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.389 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.12 -47.42 1.03 Allowed Glycine 0 N--CA 1.473 1.117 0 CA-C-N 113.74 -1.573 . . . . 0.0 111.066 -169.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -84.55 98.07 9.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.862 1.315 . . . . 0.0 110.094 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -76.53 116.7 17.46 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 112.962 -1.927 . . . . 0.0 110.993 -176.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -57.01 96.26 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 O-C-N 125.251 1.594 . . . . 0.0 112.535 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.8 p -94.54 -28.25 15.52 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 112.988 -1.914 . . . . 0.0 115.441 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.638 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . . . -134.22 90.5 2.69 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 158.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 p -49.21 -39.75 30.97 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 113.329 -1.76 . . . . 0.0 114.879 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -130.54 140.55 50.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.125 1.37 . . . . 0.0 108.758 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -121.69 -67.31 0.97 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.439 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -135.35 167.98 20.04 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.512 1.525 . . . . 0.0 110.794 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.68 HG23 ' H ' ' A' ' 40' ' ' ILE 0.332 16.8 tt 9.18 -88.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 127.257 2.223 . . . . 0.0 116.708 176.56 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.68 ' H ' HG23 ' A' ' 39' ' ' ILE . 2.1 pp -124.17 37.53 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 171.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.74 138.9 52.92 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.47 1.508 . . . . 0.0 112.341 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -130.52 163.52 26.86 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 127.261 2.224 . . . . 0.0 111.287 -177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.638 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 76.5 m -123.92 121.96 36.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -178.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -126.37 147.56 49.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 113.015 -1.902 . . . . 0.0 114.011 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.442 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -118.29 134.6 54.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.161 175.284 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 48.5 tptt . . . . . 0 C--N 1.329 -0.285 0 C-N-CA 123.459 0.704 . . . . 0.0 111.728 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.99 135.74 36.16 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.546 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 p -136.48 154.21 50.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 123.073 1.416 . . . . 0.0 113.338 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -95.96 146.38 24.65 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 112.57 -2.105 . . . . 0.0 111.135 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.6 m -116.34 143.49 45.48 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 117.651 2.464 . . . . 0.0 117.651 -167.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 . . . . . 0 C--O 1.225 -0.205 0 CA-C-N 112.057 -2.338 . . . . 0.0 113.53 170.893 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 19' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.7 p 47.78 10.9 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 118.68 2.845 . . . . 0.0 118.68 -170.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.525 ' H ' HD23 ' A' ' 17' ' ' LEU . . . -138.48 152.27 21.93 Favored Glycine 0 CA--C 1.524 0.633 0 CA-C-O 123.191 1.439 . . . . 0.0 116.174 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -119.76 140.49 50.65 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 112.891 -1.654 . . . . 0.0 107.303 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.75 104.28 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 114.139 -1.392 . . . . 0.0 107.457 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -96.05 125.92 40.92 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 113.814 -1.539 . . . . 0.0 109.688 -175.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.48 119.22 6.14 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 112.714 -2.039 . . . . 0.0 110.628 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.13 -80.87 1.22 Allowed Glycine 0 N--CA 1.474 1.219 0 CA-C-N 113.666 -1.606 . . . . 0.0 109.606 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.4 t -144.87 -170.02 3.31 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 112.326 -1.937 . . . . 0.0 109.632 -176.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.9 m -66.01 129.53 40.13 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.648 1.179 . . . . 0.0 112.378 175.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -74.36 170.13 16.27 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.548 175.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.49 122.57 11.56 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.666 0.787 . . . . 0.0 111.008 172.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.58 29.66 54.93 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-N 113.431 -1.713 . . . . 0.0 114.818 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.652 ' HB3' ' SG ' ' A' ' 44' ' ' CYS . 21.8 m95 -123.47 147.8 46.84 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.252 1.025 . . . . 0.0 112.291 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -113.41 138.26 50.34 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.292 1.837 . . . . 0.0 110.797 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.56 107.13 3.27 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.85 1.309 . . . . 0.0 113.728 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -86.68 -41.08 14.48 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 112.518 -2.128 . . . . 0.0 112.177 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.661 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -152.35 97.35 2.27 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 127.491 2.316 . . . . 0.0 105.27 163.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 m -37.91 -31.79 0.05 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.575 2.35 . . . . 0.0 117.082 -172.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -132.31 142.74 49.47 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.46 1.504 . . . . 0.0 108.557 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.08 -59.92 1.09 Allowed 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 114.624 -1.171 . . . . 0.0 108.934 165.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.6 p -129.39 159.73 35.29 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.33 1.452 . . . . 0.0 107.994 166.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.3 pt -43.21 -27.38 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 116.731 2.123 . . . . 0.0 116.731 169.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.5 pt -107.47 0.99 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 N-CA-C 115.578 1.695 . . . . 0.0 115.578 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -166.75 136.48 3.04 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.919 0.866 . . . . 0.0 112.759 -174.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -112.56 157.17 21.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.296 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.661 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 22.4 t -87.37 109.1 19.31 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.237 1.018 . . . . 0.0 108.547 170.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' ' 30' ' ' TRP . 14.6 t -129.03 148.38 50.98 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 113.081 -1.872 . . . . 0.0 110.686 -173.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -115.45 145.31 42.7 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.424 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt . . . . . 0 C--O 1.24 0.591 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.597 176.51 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.447 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.27 128.75 37.55 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.237 -1.347 . . . . 0.0 112.678 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.0 t -120.53 142.17 49.57 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 125.188 1.395 . . . . 0.0 112.754 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -73.27 105.26 4.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.279 168.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.1 m -69.12 98.5 1.0 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 113.365 -1.743 . . . . 0.0 113.694 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.471 0.575 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 173.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--O 1.237 0.445 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . 0.27 29.1 p 55.82 -25.09 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 129.746 3.219 . . . . 0.0 118.072 -173.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.86 167.97 12.74 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-O 122.953 1.307 . . . . 0.0 115.049 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.2 m -128.93 146.87 50.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 112.221 -1.99 . . . . 0.0 110.214 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.565 HG12 ' HB1' ' A' ' 41' ' ' ALA . 21.1 t -76.42 102.67 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 112.948 -1.933 . . . . 0.0 106.394 172.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -99.06 135.45 40.45 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 113.678 -1.601 . . . . 0.0 110.548 -173.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.3 mt -57.8 134.69 56.48 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.69 -85.79 0.64 Allowed Glycine 0 CA--C 1.528 0.892 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.389 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 t -120.26 -100.57 0.43 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 111.063 -2.569 . . . . 0.0 108.891 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 96.4 m -124.66 170.76 10.64 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.522 1.529 . . . . 0.0 112.013 170.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -109.56 164.71 12.27 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.35 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.59 115.32 1.73 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.75 -5.21 73.01 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 114.483 -1.235 . . . . 0.0 115.048 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -105.14 133.25 50.23 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.437 1.495 . . . . 0.0 109.066 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -122.45 148.19 45.42 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.566 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -59.89 122.89 15.4 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 45' ' ' ARG . 22.0 p -109.4 -32.23 7.24 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 113.121 -1.854 . . . . 0.0 113.343 174.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.556 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -131.44 106.73 8.43 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.144 1.378 . . . . 0.0 107.523 165.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 p -48.8 -60.69 2.53 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 113.067 -1.878 . . . . 0.0 115.163 -170.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -110.51 127.75 55.32 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.919 0.866 . . . . 0.0 110.313 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -120.2 -71.75 0.72 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 112.697 -2.047 . . . . 0.0 108.418 171.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.4 p -130.23 152.24 49.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.836 1.255 . . . . 0.0 109.209 166.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.7 tp -44.65 -31.16 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.8 pp -106.65 2.77 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.565 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -168.01 119.83 0.85 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.485 1.114 . . . . 0.0 112.09 -174.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -115.5 157.76 23.57 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 113.953 -1.476 . . . . 0.0 113.245 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 39.9 t -94.0 110.1 21.81 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 123.891 1.805 . . . . 0.0 113.034 -169.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.2 m -119.73 145.8 46.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.453 -2.612 . . . . 0.0 111.439 -172.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.497 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 29.6 ttt180 -111.6 143.51 42.36 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.4 1.88 . . . . 0.0 108.984 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tptt . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 122.883 1.325 . . . . 0.0 111.072 179.126 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.24 134.36 34.54 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.584 -2.098 . . . . 0.0 112.22 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . 26.1 p -134.18 159.1 41.94 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 113.604 -1.635 . . . . 0.0 113.143 -176.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -73.82 124.28 25.8 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.76 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.1 t -98.96 131.85 44.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 111.239 -2.71 . . . . 0.0 108.872 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.466 0.353 0 CA-C-N 111.358 -2.655 . . . . 0.0 109.846 172.049 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.2 mt . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.9 p -100.46 68.7 1.39 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.738 -169.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -164.49 158.42 31.1 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-N 111.78 -2.464 . . . . 0.0 110.615 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 m -112.35 139.5 47.85 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 126.037 1.735 . . . . 0.0 108.455 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 t -72.82 115.47 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.311 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -112.96 142.77 45.26 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 114.003 -1.453 . . . . 0.0 109.702 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -84.46 129.46 34.86 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.059 -0.973 . . . . 0.0 113.341 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.09 -87.61 0.18 Allowed Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.59 1.567 . . . . 0.0 112.913 -177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 t -128.42 155.77 44.22 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 113.301 -1.45 . . . . 0.0 110.839 -171.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 89.5 m -105.25 132.6 51.25 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 122.33 1.062 . . . . 0.0 113.255 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -79.02 161.6 26.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 112.937 -1.938 . . . . 0.0 112.269 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.47 121.58 6.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.092 0.957 . . . . 0.0 111.252 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.16 -22.35 14.08 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 114.114 -1.403 . . . . 0.0 113.279 -171.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -101.37 114.68 28.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.148 1.451 . . . . 0.0 110.903 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 113.85 21.84 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 113.218 -1.81 . . . . 0.0 108.678 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.61 98.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 123.6 1.667 . . . . 0.0 114.294 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -53.14 15.96 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 111.673 -2.512 . . . . 0.0 112.993 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.688 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -133.47 100.39 4.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.282 1.833 . . . . 0.0 106.524 171.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.5 p -45.98 -38.87 8.22 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 112.619 -2.082 . . . . 0.0 114.6 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -123.37 137.19 54.88 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 122.075 0.941 . . . . 0.0 110.653 172.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -139.06 175.51 9.49 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 112.803 -1.999 . . . . 0.0 109.855 173.105 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.4 p -40.73 120.21 1.25 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.142 2.275 . . . . 0.0 117.142 -169.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . 0.262 4.0 mp 60.45 -92.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 112.054 -2.339 . . . . 0.0 111.068 -178.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -123.55 47.52 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 123.585 1.659 . . . . 0.0 113.953 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.31 156.3 43.28 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 113.535 -1.666 . . . . 0.0 111.965 -176.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -136.36 133.99 37.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.119 -1.4 . . . . 0.0 111.253 170.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.688 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 45.7 t -89.31 118.27 28.87 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.394 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.0 m -137.59 150.86 47.78 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.69 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.605 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 2.9 tpm_? -119.17 136.24 54.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.964 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.605 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 6.6 tmtt? . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 123.247 1.499 . . . . 0.0 110.389 -175.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.17 108.54 19.66 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 113.336 -1.756 . . . . 0.0 111.588 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.2 t -113.29 154.99 25.91 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 112.233 -2.258 . . . . 0.0 111.897 -173.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -60.05 141.39 55.8 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.518 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 7.3 m -113.26 91.83 3.79 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -173.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.468 0.442 0 CA-C-N 111.958 -2.383 . . . . 0.0 113.577 172.376 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.473 0.715 0 CA-C-O 121.78 0.8 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.7 p -129.17 -59.87 1.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.022 -1.445 . . . . 0.0 112.979 -176.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.3 118.19 2.31 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 127.556 2.503 . . . . 0.0 113.169 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.5 m -74.85 123.52 25.19 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 112.941 -1.63 . . . . 0.0 107.799 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.1 97.83 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 113.906 -1.497 . . . . 0.0 108.149 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -97.44 141.49 30.45 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.087 1.755 . . . . 0.0 110.601 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.51 134.08 45.17 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 113.4 -1.727 . . . . 0.0 112.156 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.53 -62.71 4.52 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 113.441 -1.709 . . . . 0.0 113.722 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.0 m -144.45 154.93 43.45 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.655 1.182 . . . . 0.0 111.929 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.2 m -104.71 142.67 34.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.876 169.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -89.51 176.18 7.0 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.191 -168.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.85 117.83 4.69 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.196 0.998 . . . . 0.0 112.413 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.85 -11.84 69.25 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 113.995 -1.457 . . . . 0.0 114.876 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 60.4 m95 -86.57 96.7 10.18 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 123.681 1.705 . . . . 0.0 110.88 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.83 133.49 41.88 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 112.391 -2.186 . . . . 0.0 110.236 -177.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -73.62 81.04 1.51 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 113.485 -1.689 . . . . 0.0 113.585 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 5' ' ' CYS . 29.1 m -55.46 -52.38 63.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 112.112 -2.313 . . . . 0.0 113.947 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.48 85.57 2.43 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 125.282 1.613 . . . . 0.0 106.681 164.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 p -46.75 -53.31 12.12 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 111.259 -2.701 . . . . 0.0 113.194 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -109.88 120.22 41.78 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 125.345 1.653 . . . . 0.0 108.928 164.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -122.39 -85.24 0.66 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 111.852 -2.431 . . . . 0.0 109.765 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 p -135.75 99.39 4.17 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mp 51.48 -98.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 129.053 2.941 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 pp -100.64 5.83 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.38 109.55 18.51 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.45 1.5 . . . . 0.0 109.81 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -128.19 148.63 50.62 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 113.053 -1.885 . . . . 0.0 111.884 -175.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 33.8 m -87.82 120.99 29.69 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.245 -172.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 30' ' ' TRP . 89.3 m -135.03 138.87 44.35 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.58 1.175 . . . . 0.0 113.197 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.415 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 1.4 tpm_? -126.37 130.17 50.23 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.13 177.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 40.5 tttp . . . . . 0 N--CA 1.466 0.35 0 CA-C-N 114.26 -1.336 . . . . 0.0 108.396 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.7 98.7 11.58 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 113.673 -1.603 . . . . 0.0 111.812 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.49 156.64 29.2 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 113.813 -1.539 . . . . 0.0 112.544 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -80.28 108.08 13.6 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 112.987 -1.915 . . . . 0.0 109.638 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 85.9 m -79.98 112.36 17.21 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 112.373 -2.194 . . . . 0.0 114.403 -173.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 N--CA 1.473 0.697 0 CA-C-N 114.48 -1.236 . . . . 0.0 114.292 172.635 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 N--CA 1.473 0.676 0 CA-C-O 122.292 1.044 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.2 p -134.04 -64.37 0.7 Allowed 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 112.405 -2.18 . . . . 0.0 113.678 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.33 126.92 16.48 Favored Glycine 0 N--CA 1.476 1.332 0 C-N-CA 126.252 1.882 . . . . 0.0 115.206 -171.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 m -81.4 116.62 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 113.627 -1.287 . . . . 0.0 108.446 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.97 96.78 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 112.051 -2.34 . . . . 0.0 107.59 172.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -99.81 126.75 45.95 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 112.957 -1.929 . . . . 0.0 109.597 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.64 124.86 24.78 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.653 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.18 -83.63 0.42 Allowed Glycine 0 CA--C 1.534 1.233 0 CA-C-N 112.511 -2.131 . . . . 0.0 110.99 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.6 t -121.79 172.06 8.43 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 112.463 -1.869 . . . . 0.0 111.515 -174.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.6 m -109.1 173.78 6.16 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.235 1.414 . . . . 0.0 113.051 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -101.78 164.15 11.88 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 113.833 -1.531 . . . . 0.0 111.226 -171.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.75 118.93 5.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.662 1.185 . . . . 0.0 112.249 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.99 -2.47 87.08 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-N 114.634 -1.167 . . . . 0.0 114.662 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -104.67 96.27 6.46 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 123.447 1.594 . . . . 0.0 109.546 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.35 145.33 26.81 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 112.617 -2.083 . . . . 0.0 113.02 -177.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HG3' ' SG ' ' A' ' 44' ' ' CYS . 13.7 mtmt -55.1 113.84 1.52 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 113.155 -1.839 . . . . 0.0 115.046 -177.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -100.27 -36.4 9.29 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 111.487 -2.597 . . . . 0.0 111.377 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.562 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -132.39 99.42 4.67 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 167.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 p -41.37 -67.15 0.27 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 113.085 -1.871 . . . . 0.0 115.087 -168.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -112.18 134.91 53.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.122 1.369 . . . . 0.0 109.977 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.7 -167.89 1.81 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 112.535 -2.12 . . . . 0.0 110.936 175.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.5 p -51.76 125.83 16.13 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.436 HG13 ' H ' ' A' ' 40' ' ' ILE 0.402 10.9 pt 46.94 -91.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -175.802 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.436 ' H ' HG13 ' A' ' 39' ' ' ILE . 10.0 pt -118.65 52.03 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-O 123.057 1.408 . . . . 0.0 112.691 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.49 145.55 45.26 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 114.324 -1.307 . . . . 0.0 113.186 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.26 137.15 54.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 113.731 -1.577 . . . . 0.0 110.421 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.562 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 46.3 t -102.78 116.17 32.04 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.478 1.132 . . . . 0.0 112.387 -175.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.422 ' SG ' ' HG3' ' A' ' 32' ' ' LYS . 81.6 m -120.7 145.4 47.51 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 112.037 -2.347 . . . . 0.0 114.523 -175.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -114.29 144.62 42.95 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 112.01 -2.359 . . . . 0.0 108.709 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.2 tptt . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 122.29 1.043 . . . . 0.0 111.449 174.699 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.0 129.97 42.17 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 114.088 -1.414 . . . . 0.0 112.267 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t -116.46 129.18 56.08 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 113.52 -1.673 . . . . 0.0 112.867 -173.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -90.2 94.28 9.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 113.401 -1.727 . . . . 0.0 107.636 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.2 p -125.76 152.63 45.12 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 112.554 -2.112 . . . . 0.0 113.53 -168.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 4.3 m-20 . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 116.791 2.145 . . . . 0.0 116.791 -165.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--O 1.239 0.541 0 CA-C-O 122.631 1.205 . . . . 0.0 113.342 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.8 p -109.32 -27.65 9.4 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.612 1.965 . . . . 0.0 112.796 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.29 140.53 41.54 Favored Glycine 0 N--CA 1.475 1.266 0 C-N-CA 125.773 1.654 . . . . 0.0 111.637 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 m -116.39 141.41 48.2 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 113.676 -1.262 . . . . 0.0 108.687 171.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.2 t -70.69 99.93 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 113.684 -1.598 . . . . 0.0 107.222 170.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -99.1 118.53 36.04 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 112.995 -1.911 . . . . 0.0 108.928 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.73 116.39 17.35 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.039 -1.437 . . . . 0.0 112.362 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.8 -70.33 1.74 Allowed Glycine 0 N--CA 1.472 1.077 0 C-N-CA 126.13 1.824 . . . . 0.0 112.37 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -115.68 150.18 37.2 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 113.561 -1.319 . . . . 0.0 112.417 -172.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.0 t -69.73 152.01 45.14 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.227 -1.351 . . . . 0.0 112.564 176.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -65.78 149.14 50.64 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.494 173.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 116.94 5.64 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 114.437 -1.256 . . . . 0.0 112.702 -174.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.87 27.38 72.38 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 113.614 -1.63 . . . . 0.0 114.68 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -107.64 140.49 40.59 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.939 0.876 . . . . 0.0 109.462 174.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -93.86 136.42 34.16 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.151 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -57.24 120.66 8.5 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.869 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 6' ' ' ASP . 48.3 t -104.44 -44.26 4.97 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 112.508 -2.133 . . . . 0.0 112.44 -176.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . . . -140.11 108.2 5.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.54 2.336 . . . . 0.0 107.548 166.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.8 p -50.34 -48.62 55.46 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 124.987 1.315 . . . . 0.0 113.38 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -127.9 129.72 47.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 114.267 -1.333 . . . . 0.0 108.282 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -109.01 -50.28 3.02 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 124.699 1.249 . . . . 0.0 111.458 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.6 t -155.05 174.14 15.59 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.125 1.37 . . . . 0.0 110.686 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.451 HG13 ' H ' ' A' ' 40' ' ' ILE . 8.3 pt -7.68 -75.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 129.041 2.936 . . . . 0.0 116.768 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.451 ' H ' HG13 ' A' ' 39' ' ' ILE . 10.0 pt -123.32 36.01 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 124.442 1.089 . . . . 0.0 113.456 177.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -139.16 137.0 35.68 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 123.134 1.445 . . . . 0.0 114.126 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -114.68 159.87 20.02 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 111.599 -2.546 . . . . 0.0 109.313 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 87.6 m -122.44 116.28 23.69 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 123.084 1.421 . . . . 0.0 111.95 171.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -122.05 146.7 46.94 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 113.221 -1.808 . . . . 0.0 110.972 168.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -106.09 150.4 25.82 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 112.231 -2.259 . . . . 0.0 112.357 -174.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.4 tttm . . . . . 0 N--CA 1.473 0.688 0 CA-C-N 113.733 -1.576 . . . . 0.0 110.112 174.94 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.63 131.3 34.62 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 113.472 -1.694 . . . . 0.0 111.536 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.0 t -130.11 145.55 51.7 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.273 -1.785 . . . . 0.0 112.161 -175.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -78.21 129.34 34.98 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 112.717 -2.038 . . . . 0.0 111.186 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 m -85.99 152.84 22.6 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 113.888 -1.505 . . . . 0.0 113.68 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 N--CA 1.471 0.6 0 C-N-CA 126.004 1.721 . . . . 0.0 110.624 179.853 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 t -107.18 12.24 28.56 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 112.908 -1.951 . . . . 0.0 114.731 -165.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' HA3' ' SG ' ' A' ' 33' ' ' CYS . . . -115.32 145.28 18.66 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 175.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -101.88 137.27 40.39 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.261 -0.969 . . . . 0.0 109.355 -175.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.9 109.75 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.644 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -112.93 141.23 47.0 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 112.282 -2.235 . . . . 0.0 108.396 -177.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.5 tp -83.72 137.78 33.6 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.153 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.22 -78.22 2.0 Allowed Glycine 0 N--CA 1.473 1.125 0 CA-C-N 114.037 -1.438 . . . . 0.0 113.735 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -151.64 148.35 27.84 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.852 0.861 . . . . 0.0 112.86 -174.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.0 m -62.23 100.21 0.16 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 113.779 -1.555 . . . . 0.0 109.813 168.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -98.23 -147.03 0.32 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 113.297 -1.774 . . . . 0.0 113.498 -167.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.89 104.8 0.21 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.302 1.041 . . . . 0.0 113.342 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.38 11.4 82.14 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 113.495 -1.684 . . . . 0.0 115.26 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.556 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 90.0 m95 -108.09 117.71 34.85 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.333 1.063 . . . . 0.0 109.966 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -92.81 139.34 30.64 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 113.465 -1.698 . . . . 0.0 109.546 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -58.08 123.69 16.78 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.391 1.091 . . . . 0.0 111.939 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' HA3' ' A' ' 19' ' ' GLY . 6.5 t -99.42 -65.36 0.97 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 112.743 -2.026 . . . . 0.0 108.709 173.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -138.83 128.23 24.38 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.523 1.129 . . . . 0.0 109.264 173.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.1 p -55.07 -39.07 68.85 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -175.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -128.77 140.33 51.77 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.198 0.599 . . . . 0.0 112.318 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -125.22 -76.91 0.59 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 113.58 -1.646 . . . . 0.0 110.532 166.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -139.95 120.19 13.85 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.393 1.077 . . . . 0.0 112.528 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.416 HG13 ' H ' ' A' ' 40' ' ' ILE 0.363 10.3 pt 40.12 -92.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 127.318 2.247 . . . . 0.0 115.993 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.416 ' H ' HG13 ' A' ' 39' ' ' ILE . 16.8 pt -100.0 25.53 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.3 132.14 50.34 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.359 1.463 . . . . 0.0 113.176 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -127.01 152.05 47.76 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 111.545 -2.57 . . . . 0.0 110.592 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 29.2 m -94.11 121.49 35.67 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.743 1.259 . . . . 0.0 110.669 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 30' ' ' TRP . 34.1 m -131.55 137.39 48.46 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 112.081 -2.327 . . . . 0.0 109.556 -175.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.7 ttp-105 -113.64 113.97 25.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.011 1.725 . . . . 0.0 108.617 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 76.7 tttt . . . . . 0 N--CA 1.471 0.578 0 CA-C-N 114.445 -1.252 . . . . 0.0 112.843 -171.291 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.85 131.09 45.45 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.083 -1.417 . . . . 0.0 112.919 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.1 t -132.52 148.79 52.39 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 112.625 -2.08 . . . . 0.0 113.453 -172.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -71.93 130.38 40.86 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.969 174.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.64 147.37 51.45 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.587 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 4.6 p-10 -114.26 -28.76 7.15 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 112.314 -2.221 . . . . 0.0 115.503 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -115.32 71.85 0.78 Allowed 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 122.316 1.055 . . . . 0.0 113.239 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.58 73.14 2.58 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.028 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.56 -112.08 1.09 Allowed Glycine 0 N--CA 1.472 1.035 0 C-N-CA 126.515 2.007 . . . . 0.0 112.909 173.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -62.7 -55.04 0.96 Allowed 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 122.904 2.403 . . . . 0.0 113.311 171.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -96.56 68.68 2.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 123.059 1.409 . . . . 0.0 111.791 -174.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.486 HG13 ' H ' ' A' ' 13' ' ' ARG 0.301 9.3 pt -38.4 -81.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 110.821 -2.9 . . . . 0.0 117.83 -171.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.587 ' HE ' ' HA ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -93.5 85.8 5.03 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.626 1.204 . . . . 0.0 112.069 177.714 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.9 p -126.76 -77.55 0.58 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 112.793 -2.003 . . . . 0.0 112.942 173.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.14 106.23 46.9 Favored Pre-proline 0 N--CA 1.467 0.412 0 C-N-CA 126.814 2.046 . . . . 0.0 111.482 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -61.77 -74.33 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.859 3.039 . . . . 0.0 114.855 -174.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 tp -76.17 93.92 3.43 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.231 0.612 . . . . 0.0 110.621 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.5 p -136.03 -60.54 0.73 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 113.625 -1.625 . . . . 0.0 113.061 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.98 150.59 0.92 Allowed Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.405 1.479 . . . . 0.0 115.264 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 m -108.96 139.78 43.36 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 112.417 -1.891 . . . . 0.0 108.213 173.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.9 t -67.04 108.47 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 122.81 1.29 . . . . 0.0 109.409 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -111.67 163.92 13.6 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.509 2.324 . . . . 0.0 108.815 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.52 116.44 30.75 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.6 -80.86 0.03 OUTLIER Glycine 0 N--CA 1.473 1.119 0 C-N-CA 126.299 1.904 . . . . 0.0 114.59 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 p -125.38 146.15 49.72 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.287 1.435 . . . . 0.0 112.482 -173.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.1 m -100.28 146.14 27.28 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -72.85 146.15 46.43 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.6 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.42 124.52 6.95 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.389 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.12 -47.42 1.03 Allowed Glycine 0 N--CA 1.473 1.117 0 CA-C-N 113.74 -1.573 . . . . 0.0 111.066 -169.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -84.55 98.07 9.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.862 1.315 . . . . 0.0 110.094 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -76.53 116.7 17.46 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 112.962 -1.927 . . . . 0.0 110.993 -176.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -57.01 96.26 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 O-C-N 125.251 1.594 . . . . 0.0 112.535 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.8 p -94.54 -28.25 15.52 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 112.988 -1.914 . . . . 0.0 115.441 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.638 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . . . -134.22 90.5 2.69 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 158.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 p -49.21 -39.75 30.97 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 113.329 -1.76 . . . . 0.0 114.879 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -130.54 140.55 50.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.125 1.37 . . . . 0.0 108.758 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -121.69 -67.31 0.97 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.439 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -135.35 167.98 20.04 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.512 1.525 . . . . 0.0 110.794 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.68 HG23 ' H ' ' A' ' 40' ' ' ILE 0.332 16.8 tt 9.18 -88.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 127.257 2.223 . . . . 0.0 116.708 176.56 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.68 ' H ' HG23 ' A' ' 39' ' ' ILE . 2.1 pp -124.17 37.53 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 171.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.74 138.9 52.92 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.47 1.508 . . . . 0.0 112.341 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -130.52 163.52 26.86 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 127.261 2.224 . . . . 0.0 111.287 -177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.638 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 76.5 m -123.92 121.96 36.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -178.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -126.37 147.56 49.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 113.015 -1.902 . . . . 0.0 114.011 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HE ' ' HD2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -118.29 134.6 54.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.161 175.284 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 48.5 tptt -71.19 108.86 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.459 0.704 . . . . 0.0 111.728 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 65.12 -46.41 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 129.334 3.053 . . . . 0.0 118.453 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HD2' ' HE ' ' A' ' 45' ' ' ARG . 82.7 mttt . . . . . 0 C--O 1.247 0.939 0 C-N-CA 127.268 2.227 . . . . 0.0 113.591 -175.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.99 135.74 36.16 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.546 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 p -136.48 154.21 50.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 123.073 1.416 . . . . 0.0 113.338 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -95.96 146.38 24.65 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 112.57 -2.105 . . . . 0.0 111.135 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.6 m -116.34 143.49 45.48 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 117.651 2.464 . . . . 0.0 117.651 -167.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.475 ' OD1' HG23 ' A' ' 12' ' ' ILE . 68.1 m-20 -77.11 -35.88 56.01 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 112.057 -2.338 . . . . 0.0 113.53 170.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -78.63 39.97 0.36 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 126.156 1.782 . . . . 0.0 111.914 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -158.19 -65.4 0.09 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 128.138 2.575 . . . . 0.0 107.947 -172.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.39 129.99 6.23 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 172.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -54.04 -33.11 71.89 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.43 2.753 . . . . 0.0 114.281 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -100.94 108.83 20.68 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 166.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.475 HG23 ' OD1' ' A' ' 6' ' ' ASP . 6.5 pt -35.17 -49.7 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 173.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.21 -27.81 69.24 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -176.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 38.2 p -110.73 45.23 1.17 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.588 1.155 . . . . 0.0 110.981 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.58 119.75 13.12 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 125.539 1.536 . . . . 0.0 110.443 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -73.65 73.24 3.54 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 123.954 3.103 . . . . 0.0 116.182 -173.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 19' ' ' GLY . 0.5 OUTLIER 64.79 -97.57 0.06 Allowed 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 127.878 2.471 . . . . 0.0 114.031 172.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.7 p 47.78 10.9 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 118.68 2.845 . . . . 0.0 118.68 -170.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.525 ' H ' HD23 ' A' ' 17' ' ' LEU . . . -138.48 152.27 21.93 Favored Glycine 0 CA--C 1.524 0.633 0 CA-C-O 123.191 1.439 . . . . 0.0 116.174 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -119.76 140.49 50.65 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 112.891 -1.654 . . . . 0.0 107.303 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.75 104.28 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 114.139 -1.392 . . . . 0.0 107.457 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -96.05 125.92 40.92 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 113.814 -1.539 . . . . 0.0 109.688 -175.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.48 119.22 6.14 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 112.714 -2.039 . . . . 0.0 110.628 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.13 -80.87 1.22 Allowed Glycine 0 N--CA 1.474 1.219 0 CA-C-N 113.666 -1.606 . . . . 0.0 109.606 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.4 t -144.87 -170.02 3.31 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 112.326 -1.937 . . . . 0.0 109.632 -176.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.9 m -66.01 129.53 40.13 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.648 1.179 . . . . 0.0 112.378 175.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -74.36 170.13 16.27 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.548 175.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.49 122.57 11.56 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.666 0.787 . . . . 0.0 111.008 172.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.58 29.66 54.93 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-N 113.431 -1.713 . . . . 0.0 114.818 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.652 ' HB3' ' SG ' ' A' ' 44' ' ' CYS . 21.8 m95 -123.47 147.8 46.84 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.252 1.025 . . . . 0.0 112.291 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -113.41 138.26 50.34 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.292 1.837 . . . . 0.0 110.797 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.56 107.13 3.27 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.85 1.309 . . . . 0.0 113.728 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -86.68 -41.08 14.48 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 112.518 -2.128 . . . . 0.0 112.177 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.661 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -152.35 97.35 2.27 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 127.491 2.316 . . . . 0.0 105.27 163.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 m -37.91 -31.79 0.05 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.575 2.35 . . . . 0.0 117.082 -172.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -132.31 142.74 49.47 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.46 1.504 . . . . 0.0 108.557 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.08 -59.92 1.09 Allowed 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 114.624 -1.171 . . . . 0.0 108.934 165.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.6 p -129.39 159.73 35.29 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.33 1.452 . . . . 0.0 107.994 166.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.3 pt -43.21 -27.38 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 116.731 2.123 . . . . 0.0 116.731 169.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.5 pt -107.47 0.99 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 N-CA-C 115.578 1.695 . . . . 0.0 115.578 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -166.75 136.48 3.04 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.919 0.866 . . . . 0.0 112.759 -174.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -112.56 157.17 21.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.296 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.661 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 22.4 t -87.37 109.1 19.31 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.237 1.018 . . . . 0.0 108.547 170.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' ' 30' ' ' TRP . 14.6 t -129.03 148.38 50.98 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 113.081 -1.872 . . . . 0.0 110.686 -173.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -115.45 145.31 42.7 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.424 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -73.1 129.96 39.24 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.597 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -72.94 96.02 2.06 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 122.642 1.21 . . . . 0.0 111.727 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? . . . . . 0 C--O 1.257 1.463 0 CA-C-N 113.321 -1.763 . . . . 0.0 114.144 179.075 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.447 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.27 128.75 37.55 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.237 -1.347 . . . . 0.0 112.678 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.0 t -120.53 142.17 49.57 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 125.188 1.395 . . . . 0.0 112.754 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -73.27 105.26 4.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.279 168.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 17.1 m -69.12 98.5 1.0 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 113.365 -1.743 . . . . 0.0 113.694 176.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -48.38 -46.11 36.64 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 173.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.16 61.51 1.08 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 122.542 1.163 . . . . 0.0 111.052 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 5' ' ' CYS . 19.6 tt0 -89.79 70.49 7.67 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 113.869 -1.514 . . . . 0.0 107.47 174.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.1 -98.08 2.33 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 112.191 -2.277 . . . . 0.0 107.497 -169.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -70.88 178.72 4.95 Favored 'Trans proline' 0 C--N 1.33 -0.417 0 C-N-CA 122.821 2.347 . . . . 0.0 110.427 167.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.98 96.13 8.68 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 122.748 1.261 . . . . 0.0 111.266 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 pt -130.4 105.42 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 111.659 -2.518 . . . . 0.0 110.671 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.565 ' CZ ' ' H ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -56.1 -46.4 79.11 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 122.077 0.941 . . . . 0.0 112.045 177.64 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 p -83.15 64.98 7.98 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.616 1.566 . . . . 0.0 110.858 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . . . -97.91 142.32 24.38 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 112.857 -1.974 . . . . 0.0 113.097 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 67.3 Cg_exo -68.75 63.38 1.26 Allowed 'Trans proline' 0 C--N 1.327 -0.602 0 C-N-CA 123.239 2.626 . . . . 0.0 114.986 172.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.7 mt 50.73 -88.34 0.01 OUTLIER 'General case' 0 C--O 1.237 0.445 0 C-N-CA 127.855 2.462 . . . . 0.0 115.96 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . 0.27 29.1 p 55.82 -25.09 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 129.746 3.219 . . . . 0.0 118.072 -173.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.86 167.97 12.74 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-O 122.953 1.307 . . . . 0.0 115.049 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.2 m -128.93 146.87 50.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 112.221 -1.99 . . . . 0.0 110.214 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.565 HG12 ' HB1' ' A' ' 41' ' ' ALA . 21.1 t -76.42 102.67 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 112.948 -1.933 . . . . 0.0 106.394 172.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -99.06 135.45 40.45 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 113.678 -1.601 . . . . 0.0 110.548 -173.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.3 mt -57.8 134.69 56.48 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.69 -85.79 0.64 Allowed Glycine 0 CA--C 1.528 0.892 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.389 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 t -120.26 -100.57 0.43 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 111.063 -2.569 . . . . 0.0 108.891 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 96.4 m -124.66 170.76 10.64 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.522 1.529 . . . . 0.0 112.013 170.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -109.56 164.71 12.27 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.35 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.59 115.32 1.73 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.75 -5.21 73.01 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 114.483 -1.235 . . . . 0.0 115.048 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -105.14 133.25 50.23 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.437 1.495 . . . . 0.0 109.066 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -122.45 148.19 45.42 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.566 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -59.89 122.89 15.4 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 45' ' ' ARG . 22.0 p -109.4 -32.23 7.24 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 113.121 -1.854 . . . . 0.0 113.343 174.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.556 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -131.44 106.73 8.43 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.144 1.378 . . . . 0.0 107.523 165.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 p -48.8 -60.69 2.53 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 113.067 -1.878 . . . . 0.0 115.163 -170.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -110.51 127.75 55.32 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.919 0.866 . . . . 0.0 110.313 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -120.2 -71.75 0.72 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 112.697 -2.047 . . . . 0.0 108.418 171.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.4 p -130.23 152.24 49.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.836 1.255 . . . . 0.0 109.209 166.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.7 tp -44.65 -31.16 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.8 pp -106.65 2.77 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.565 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -168.01 119.83 0.85 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.485 1.114 . . . . 0.0 112.09 -174.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -115.5 157.76 23.57 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 113.953 -1.476 . . . . 0.0 113.245 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 39.9 t -94.0 110.1 21.81 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 123.891 1.805 . . . . 0.0 113.034 -169.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.2 m -119.73 145.8 46.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.453 -2.612 . . . . 0.0 111.439 -172.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.497 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 29.6 ttt180 -111.6 143.51 42.36 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.4 1.88 . . . . 0.0 108.984 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -77.02 89.41 3.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.883 1.325 . . . . 0.0 111.072 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -152.48 138.27 17.96 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 112.636 -2.074 . . . . 0.0 110.338 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm . . . . . 0 C--O 1.252 1.208 0 CA-C-O 116.209 -1.853 . . . . 0.0 114.761 -175.465 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.24 134.36 34.54 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.584 -2.098 . . . . 0.0 112.22 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . 26.1 p -134.18 159.1 41.94 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 113.604 -1.635 . . . . 0.0 113.143 -176.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -73.82 124.28 25.8 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.76 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.1 t -98.96 131.85 44.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 111.239 -2.71 . . . . 0.0 108.872 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 6.8 m-20 -99.67 -46.45 5.42 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 111.358 -2.655 . . . . 0.0 109.846 172.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -100.76 86.92 3.2 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 122.982 1.372 . . . . 0.0 110.959 -175.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -86.41 72.49 10.3 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 113.613 -1.631 . . . . 0.0 107.578 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.39 -115.87 8.39 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 112.304 -2.225 . . . . 0.0 109.423 -170.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -69.51 -29.2 25.44 Favored 'Trans proline' 0 C--N 1.331 -0.369 0 C-N-CA 122.624 2.216 . . . . 0.0 114.381 170.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -81.28 96.36 7.26 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.798 1.239 . . . . 0.0 112.707 -169.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 6' ' ' ASP 0.259 1.1 pp -78.54 90.99 1.3 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-O 123.252 1.501 . . . . 0.0 114.44 168.512 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.67 105.25 8.86 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 111.419 -2.628 . . . . 0.0 105.255 173.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 48.5 p -84.26 65.3 8.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 112.314 -2.221 . . . . 0.0 111.35 -169.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -157.16 -51.07 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.513 0 N-CA-C 120.742 3.608 . . . . 0.0 120.742 -175.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.15 128.1 26.46 Favored 'Trans proline' 0 C--N 1.332 -0.314 0 C-N-CA 124.296 3.331 . . . . 0.0 112.287 -173.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.06 28.78 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.9 p -100.46 68.7 1.39 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.738 -169.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -164.49 158.42 31.1 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-N 111.78 -2.464 . . . . 0.0 110.615 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 m -112.35 139.5 47.85 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 126.037 1.735 . . . . 0.0 108.455 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 t -72.82 115.47 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.311 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -112.96 142.77 45.26 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 114.003 -1.453 . . . . 0.0 109.702 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -84.46 129.46 34.86 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.059 -0.973 . . . . 0.0 113.341 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.09 -87.61 0.18 Allowed Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.59 1.567 . . . . 0.0 112.913 -177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 t -128.42 155.77 44.22 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 113.301 -1.45 . . . . 0.0 110.839 -171.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 89.5 m -105.25 132.6 51.25 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 122.33 1.062 . . . . 0.0 113.255 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -79.02 161.6 26.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 112.937 -1.938 . . . . 0.0 112.269 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.47 121.58 6.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.092 0.957 . . . . 0.0 111.252 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.16 -22.35 14.08 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 114.114 -1.403 . . . . 0.0 113.279 -171.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -101.37 114.68 28.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.148 1.451 . . . . 0.0 110.903 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 113.85 21.84 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 113.218 -1.81 . . . . 0.0 108.678 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.61 98.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 123.6 1.667 . . . . 0.0 114.294 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -53.14 15.96 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 111.673 -2.512 . . . . 0.0 112.993 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.688 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -133.47 100.39 4.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.282 1.833 . . . . 0.0 106.524 171.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.5 p -45.98 -38.87 8.22 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 112.619 -2.082 . . . . 0.0 114.6 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -123.37 137.19 54.88 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 122.075 0.941 . . . . 0.0 110.653 172.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -139.06 175.51 9.49 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 112.803 -1.999 . . . . 0.0 109.855 173.105 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.4 p -40.73 120.21 1.25 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.142 2.275 . . . . 0.0 117.142 -169.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . 0.262 4.0 mp 60.45 -92.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 112.054 -2.339 . . . . 0.0 111.068 -178.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -123.55 47.52 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 123.585 1.659 . . . . 0.0 113.953 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.31 156.3 43.28 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 113.535 -1.666 . . . . 0.0 111.965 -176.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -136.36 133.99 37.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.119 -1.4 . . . . 0.0 111.253 170.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.688 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 45.7 t -89.31 118.27 28.87 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.394 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.0 m -137.59 150.86 47.78 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.69 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.605 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 2.9 tpm_? -119.17 136.24 54.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.964 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.605 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 6.6 tmtt? -84.15 106.67 15.97 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 123.247 1.499 . . . . 0.0 110.389 -175.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -78.18 82.53 4.49 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 112.636 -2.075 . . . . 0.0 112.39 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 pttm . . . . . 0 C--O 1.25 1.105 0 CA-C-N 112.541 -2.118 . . . . 0.0 114.384 178.889 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.17 108.54 19.66 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 113.336 -1.756 . . . . 0.0 111.588 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.2 t -113.29 154.99 25.91 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 112.233 -2.258 . . . . 0.0 111.897 -173.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -60.05 141.39 55.8 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.518 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 7.3 m -113.26 91.83 3.79 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -173.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.41 -24.34 42.6 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 111.958 -2.383 . . . . 0.0 113.577 172.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -121.53 83.48 2.09 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 122.223 1.011 . . . . 0.0 111.739 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -136.37 92.06 2.73 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.285 2.234 . . . . 0.0 110.988 171.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.64 -123.52 11.52 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 112.854 -1.976 . . . . 0.0 112.326 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -70.14 75.13 1.4 Allowed 'Trans proline' 0 C--N 1.33 -0.43 0 C-N-CA 122.873 2.382 . . . . 0.0 109.886 167.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 61.92 -72.7 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.454 2.302 . . . . 0.0 115.123 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 pp -128.17 78.52 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -168.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -81.4 -83.25 0.12 Allowed 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.22 168.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.1 p -85.88 58.37 5.01 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.849 1.309 . . . . 0.0 113.383 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.47 -43.94 81.39 Favored Pre-proline 0 N--CA 1.476 0.866 0 N-CA-C 119.984 3.327 . . . . 0.0 119.984 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -73.63 -152.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.325 -0.663 0 C-N-CA 122.103 1.869 . . . . 0.0 111.422 -177.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.49 90.71 3.88 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.104 0.962 . . . . 0.0 111.647 -173.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.7 p -129.17 -59.87 1.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.022 -1.445 . . . . 0.0 112.979 -176.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.3 118.19 2.31 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 127.556 2.503 . . . . 0.0 113.169 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.5 m -74.85 123.52 25.19 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 112.941 -1.63 . . . . 0.0 107.799 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.1 97.83 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 113.906 -1.497 . . . . 0.0 108.149 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -97.44 141.49 30.45 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.087 1.755 . . . . 0.0 110.601 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.51 134.08 45.17 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 113.4 -1.727 . . . . 0.0 112.156 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.53 -62.71 4.52 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 113.441 -1.709 . . . . 0.0 113.722 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.0 m -144.45 154.93 43.45 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.655 1.182 . . . . 0.0 111.929 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.2 m -104.71 142.67 34.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.876 169.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -89.51 176.18 7.0 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.191 -168.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.85 117.83 4.69 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.196 0.998 . . . . 0.0 112.413 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.85 -11.84 69.25 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 113.995 -1.457 . . . . 0.0 114.876 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 60.4 m95 -86.57 96.7 10.18 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 123.681 1.705 . . . . 0.0 110.88 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.83 133.49 41.88 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 112.391 -2.186 . . . . 0.0 110.236 -177.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -73.62 81.04 1.51 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 113.485 -1.689 . . . . 0.0 113.585 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 5' ' ' CYS . 29.1 m -55.46 -52.38 63.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 112.112 -2.313 . . . . 0.0 113.947 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.48 85.57 2.43 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 125.282 1.613 . . . . 0.0 106.681 164.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 p -46.75 -53.31 12.12 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 111.259 -2.701 . . . . 0.0 113.194 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -109.88 120.22 41.78 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 125.345 1.653 . . . . 0.0 108.928 164.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -122.39 -85.24 0.66 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 111.852 -2.431 . . . . 0.0 109.765 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 p -135.75 99.39 4.17 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mp 51.48 -98.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 129.053 2.941 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 pp -100.64 5.83 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.38 109.55 18.51 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.45 1.5 . . . . 0.0 109.81 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -128.19 148.63 50.62 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 113.053 -1.885 . . . . 0.0 111.884 -175.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 33.8 m -87.82 120.99 29.69 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.245 -172.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 30' ' ' TRP . 89.3 m -135.03 138.87 44.35 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.58 1.175 . . . . 0.0 113.197 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.415 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 1.4 tpm_? -126.37 130.17 50.23 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.13 177.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 40.5 tttp -73.33 108.64 6.31 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.26 -1.336 . . . . 0.0 108.396 177.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -7.06 93.58 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 118.248 2.684 . . . . 0.0 118.248 -175.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' NZ ' HH21 ' A' ' 45' ' ' ARG . 60.1 mttp . . . . . 0 C--O 1.247 0.95 0 CA-C-N 112.828 -1.987 . . . . 0.0 112.795 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.7 98.7 11.58 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 113.673 -1.603 . . . . 0.0 111.812 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.49 156.64 29.2 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 113.813 -1.539 . . . . 0.0 112.544 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -80.28 108.08 13.6 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 112.987 -1.915 . . . . 0.0 109.638 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 85.9 m -79.98 112.36 17.21 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 112.373 -2.194 . . . . 0.0 114.403 -173.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.13 -41.67 97.12 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.48 -1.236 . . . . 0.0 114.292 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 16.0 m-20 -87.52 74.69 9.25 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 169.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -69.41 75.35 0.38 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 111.955 -2.384 . . . . 0.0 110.992 -176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.1 155.75 12.27 Favored Glycine 0 N--CA 1.47 0.961 0 CA-C-N 112.631 -2.077 . . . . 0.0 113.276 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -59.24 -9.49 8.49 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 123.797 2.998 . . . . 0.0 115.798 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.28 65.07 4.55 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 123.149 1.452 . . . . 0.0 112.044 -172.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.467 ' HA ' HH21 ' A' ' 45' ' ' ARG . 4.3 mp -82.38 88.63 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 114.072 -1.422 . . . . 0.0 107.182 175.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -73.68 -37.78 65.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 112.25 -2.25 . . . . 0.0 113.292 173.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 p -126.49 -79.14 0.59 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 113.905 -1.498 . . . . 0.0 112.615 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 18' ' ' THR . . . -141.44 -169.1 0.21 Allowed Pre-proline 0 C--O 1.234 0.286 0 C-N-CA 126.956 2.102 . . . . 0.0 109.727 -176.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -56.58 -31.2 85.94 Favored 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 122.296 1.997 . . . . 0.0 112.84 156.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.8 mt -75.19 93.21 2.78 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.722 1.209 . . . . 0.0 110.84 168.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 15' ' ' ALA . 11.2 p -134.04 -64.37 0.7 Allowed 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 112.405 -2.18 . . . . 0.0 113.678 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.33 126.92 16.48 Favored Glycine 0 N--CA 1.476 1.332 0 C-N-CA 126.252 1.882 . . . . 0.0 115.206 -171.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 m -81.4 116.62 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 113.627 -1.287 . . . . 0.0 108.446 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.97 96.78 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 112.051 -2.34 . . . . 0.0 107.59 172.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -99.81 126.75 45.95 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 112.957 -1.929 . . . . 0.0 109.597 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.64 124.86 24.78 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.653 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.18 -83.63 0.42 Allowed Glycine 0 CA--C 1.534 1.233 0 CA-C-N 112.511 -2.131 . . . . 0.0 110.99 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.6 t -121.79 172.06 8.43 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 112.463 -1.869 . . . . 0.0 111.515 -174.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.6 m -109.1 173.78 6.16 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.235 1.414 . . . . 0.0 113.051 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -101.78 164.15 11.88 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 113.833 -1.531 . . . . 0.0 111.226 -171.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.75 118.93 5.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.662 1.185 . . . . 0.0 112.249 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.99 -2.47 87.08 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-N 114.634 -1.167 . . . . 0.0 114.662 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -104.67 96.27 6.46 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 123.447 1.594 . . . . 0.0 109.546 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.35 145.33 26.81 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 112.617 -2.083 . . . . 0.0 113.02 -177.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HG3' ' SG ' ' A' ' 44' ' ' CYS . 13.7 mtmt -55.1 113.84 1.52 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 113.155 -1.839 . . . . 0.0 115.046 -177.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.606 ' HA ' ' HB2' ' A' ' 7' ' ' ASP . 1.7 p -100.27 -36.4 9.29 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 111.487 -2.597 . . . . 0.0 111.377 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.562 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -132.39 99.42 4.67 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 167.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 p -41.37 -67.15 0.27 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 113.085 -1.871 . . . . 0.0 115.087 -168.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -112.18 134.91 53.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.122 1.369 . . . . 0.0 109.977 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.7 -167.89 1.81 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 112.535 -2.12 . . . . 0.0 110.936 175.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.5 p -51.76 125.83 16.13 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.436 HG13 ' H ' ' A' ' 40' ' ' ILE 0.402 10.9 pt 46.94 -91.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -175.802 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.436 ' H ' HG13 ' A' ' 39' ' ' ILE . 10.0 pt -118.65 52.03 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-O 123.057 1.408 . . . . 0.0 112.691 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.49 145.55 45.26 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 114.324 -1.307 . . . . 0.0 113.186 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.26 137.15 54.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 113.731 -1.577 . . . . 0.0 110.421 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.562 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 46.3 t -102.78 116.17 32.04 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.478 1.132 . . . . 0.0 112.387 -175.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.422 ' SG ' ' HG3' ' A' ' 32' ' ' LYS . 81.6 m -120.7 145.4 47.51 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 112.037 -2.347 . . . . 0.0 114.523 -175.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.467 HH21 ' HA ' ' A' ' 12' ' ' ILE . 13.1 ttt85 -114.29 144.62 42.95 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 112.01 -2.359 . . . . 0.0 108.709 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -69.31 91.87 0.56 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 122.29 1.043 . . . . 0.0 111.449 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -148.81 101.01 3.15 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 113.238 -1.801 . . . . 0.0 110.18 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.254 0.0 OUTLIER . . . . . 0 C--O 1.244 0.801 0 N-CA-C 119.905 3.298 . . . . 0.0 119.905 177.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.0 129.97 42.17 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 114.088 -1.414 . . . . 0.0 112.267 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t -116.46 129.18 56.08 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 113.52 -1.673 . . . . 0.0 112.867 -173.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -90.2 94.28 9.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 113.401 -1.727 . . . . 0.0 107.636 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.2 p -125.76 152.63 45.12 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 112.554 -2.112 . . . . 0.0 113.53 -168.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 4.3 m-20 -30.62 -66.58 0.1 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 116.791 2.145 . . . . 0.0 116.791 -165.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -81.33 26.08 0.47 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 117.678 2.473 . . . . 0.0 117.678 -170.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -97.56 60.67 1.59 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 122.651 1.215 . . . . 0.0 111.321 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 46.45 -117.48 2.88 Favored Glycine 0 N--CA 1.47 0.948 0 C-N-CA 126.128 1.823 . . . . 0.0 113.601 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.7 69.79 7.64 Favored 'Trans proline' 0 N--CA 1.477 0.558 0 C-N-CA 122.548 2.165 . . . . 0.0 111.242 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.463 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 21.2 t70 -63.84 -6.05 5.28 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -171.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 mp -89.22 93.6 4.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 78.44 -56.37 0.47 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 127.151 2.18 . . . . 0.0 112.968 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 p -84.83 53.32 2.67 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.337 1.855 . . . . 0.0 112.6 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HB2' ' HA ' ' A' ' 11' ' ' ASP . . . -95.71 132.21 27.79 Favored Pre-proline 0 N--CA 1.469 0.511 0 CA-C-N 113.481 -1.691 . . . . 0.0 112.083 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -66.44 87.27 0.27 Allowed 'Trans proline' 0 C--N 1.329 -0.481 0 C-N-CA 122.885 2.39 . . . . 0.0 109.59 164.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.48 80.69 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 126.417 1.887 . . . . 0.0 113.342 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.8 p -109.32 -27.65 9.4 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.612 1.965 . . . . 0.0 112.796 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.29 140.53 41.54 Favored Glycine 0 N--CA 1.475 1.266 0 C-N-CA 125.773 1.654 . . . . 0.0 111.637 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 m -116.39 141.41 48.2 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 113.676 -1.262 . . . . 0.0 108.687 171.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.2 t -70.69 99.93 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 113.684 -1.598 . . . . 0.0 107.222 170.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -99.1 118.53 36.04 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 112.995 -1.911 . . . . 0.0 108.928 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.73 116.39 17.35 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.039 -1.437 . . . . 0.0 112.362 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.8 -70.33 1.74 Allowed Glycine 0 N--CA 1.472 1.077 0 C-N-CA 126.13 1.824 . . . . 0.0 112.37 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -115.68 150.18 37.2 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 113.561 -1.319 . . . . 0.0 112.417 -172.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.0 t -69.73 152.01 45.14 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.227 -1.351 . . . . 0.0 112.564 176.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -65.78 149.14 50.64 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.494 173.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 116.94 5.64 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 114.437 -1.256 . . . . 0.0 112.702 -174.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.87 27.38 72.38 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 113.614 -1.63 . . . . 0.0 114.68 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -107.64 140.49 40.59 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.939 0.876 . . . . 0.0 109.462 174.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -93.86 136.42 34.16 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.151 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -57.24 120.66 8.5 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.869 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 6' ' ' ASP . 48.3 t -104.44 -44.26 4.97 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 112.508 -2.133 . . . . 0.0 112.44 -176.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . . . -140.11 108.2 5.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.54 2.336 . . . . 0.0 107.548 166.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.8 p -50.34 -48.62 55.46 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 124.987 1.315 . . . . 0.0 113.38 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -127.9 129.72 47.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 114.267 -1.333 . . . . 0.0 108.282 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -109.01 -50.28 3.02 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 124.699 1.249 . . . . 0.0 111.458 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.6 t -155.05 174.14 15.59 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.125 1.37 . . . . 0.0 110.686 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.451 HG13 ' H ' ' A' ' 40' ' ' ILE . 8.3 pt -7.68 -75.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 129.041 2.936 . . . . 0.0 116.768 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.451 ' H ' HG13 ' A' ' 39' ' ' ILE . 10.0 pt -123.32 36.01 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 124.442 1.089 . . . . 0.0 113.456 177.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -139.16 137.0 35.68 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 123.134 1.445 . . . . 0.0 114.126 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -114.68 159.87 20.02 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 111.599 -2.546 . . . . 0.0 109.313 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 87.6 m -122.44 116.28 23.69 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 123.084 1.421 . . . . 0.0 111.95 171.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -122.05 146.7 46.94 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 113.221 -1.808 . . . . 0.0 110.972 168.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -106.09 150.4 25.82 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 112.231 -2.259 . . . . 0.0 112.357 -174.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -68.24 95.22 0.57 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 113.733 -1.576 . . . . 0.0 110.112 174.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -157.07 115.62 3.27 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 111.519 -2.582 . . . . 0.0 106.505 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt . . . . . 0 C--O 1.249 1.078 0 CA-C-N 114.375 -1.284 . . . . 0.0 113.404 -173.327 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.63 131.3 34.62 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 113.472 -1.694 . . . . 0.0 111.536 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.0 t -130.11 145.55 51.7 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.273 -1.785 . . . . 0.0 112.161 -175.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -78.21 129.34 34.98 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 112.717 -2.038 . . . . 0.0 111.186 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 m -85.99 152.84 22.6 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 113.888 -1.505 . . . . 0.0 113.68 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -76.96 79.45 3.51 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.004 1.721 . . . . 0.0 110.624 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 52.2 86.81 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 173.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -86.87 66.29 9.37 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 113.53 -1.668 . . . . 0.0 110.895 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.65 -107.8 1.15 Allowed Glycine 0 CA--C 1.532 1.147 0 CA-C-N 112.503 -2.135 . . . . 0.0 110.872 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -59.94 -33.89 95.47 Favored 'Trans proline' 0 C--N 1.328 -0.522 0 C-N-CA 123.08 2.52 . . . . 0.0 114.462 172.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -83.27 80.65 9.0 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 tp -125.62 -60.65 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 110.555 -3.021 . . . . 0.0 110.825 166.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.8 mtm105 -59.31 -44.43 92.55 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.588 0.755 . . . . 0.0 111.892 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -84.69 85.64 7.42 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 122.648 1.213 . . . . 0.0 108.639 164.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -37.04 108.7 0.41 Allowed Pre-proline 0 N--CA 1.468 0.433 0 CA-C-N 111.947 -2.388 . . . . 0.0 115.864 -176.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.05 70.13 7.21 Favored 'Trans proline' 0 C--N 1.324 -0.75 0 C-N-CA 123.434 2.756 . . . . 0.0 112.648 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -73.9 32.61 0.08 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.247 1.819 . . . . 0.0 114.606 175.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 t -107.18 12.24 28.56 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 112.908 -1.951 . . . . 0.0 114.731 -165.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' HA3' ' SG ' ' A' ' 33' ' ' CYS . . . -115.32 145.28 18.66 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 175.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -101.88 137.27 40.39 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.261 -0.969 . . . . 0.0 109.355 -175.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.9 109.75 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.644 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -112.93 141.23 47.0 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 112.282 -2.235 . . . . 0.0 108.396 -177.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.5 tp -83.72 137.78 33.6 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.153 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.22 -78.22 2.0 Allowed Glycine 0 N--CA 1.473 1.125 0 CA-C-N 114.037 -1.438 . . . . 0.0 113.735 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -151.64 148.35 27.84 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.852 0.861 . . . . 0.0 112.86 -174.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.0 m -62.23 100.21 0.16 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 113.779 -1.555 . . . . 0.0 109.813 168.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -98.23 -147.03 0.32 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 113.297 -1.774 . . . . 0.0 113.498 -167.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.89 104.8 0.21 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.302 1.041 . . . . 0.0 113.342 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.38 11.4 82.14 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 113.495 -1.684 . . . . 0.0 115.26 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.556 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 90.0 m95 -108.09 117.71 34.85 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.333 1.063 . . . . 0.0 109.966 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -92.81 139.34 30.64 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 113.465 -1.698 . . . . 0.0 109.546 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -58.08 123.69 16.78 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.391 1.091 . . . . 0.0 111.939 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' HA3' ' A' ' 19' ' ' GLY . 6.5 t -99.42 -65.36 0.97 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 112.743 -2.026 . . . . 0.0 108.709 173.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -138.83 128.23 24.38 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.523 1.129 . . . . 0.0 109.264 173.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.1 p -55.07 -39.07 68.85 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -175.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -128.77 140.33 51.77 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.198 0.599 . . . . 0.0 112.318 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -125.22 -76.91 0.59 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 113.58 -1.646 . . . . 0.0 110.532 166.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -139.95 120.19 13.85 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.393 1.077 . . . . 0.0 112.528 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.416 HG13 ' H ' ' A' ' 40' ' ' ILE 0.363 10.3 pt 40.12 -92.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 127.318 2.247 . . . . 0.0 115.993 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.416 ' H ' HG13 ' A' ' 39' ' ' ILE . 16.8 pt -100.0 25.53 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.3 132.14 50.34 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.359 1.463 . . . . 0.0 113.176 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -127.01 152.05 47.76 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 111.545 -2.57 . . . . 0.0 110.592 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 29.2 m -94.11 121.49 35.67 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.743 1.259 . . . . 0.0 110.669 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 30' ' ' TRP . 34.1 m -131.55 137.39 48.46 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 112.081 -2.327 . . . . 0.0 109.556 -175.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.7 ttp-105 -113.64 113.97 25.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.011 1.725 . . . . 0.0 108.617 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -77.04 120.36 22.03 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.445 -1.252 . . . . 0.0 112.843 -171.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -98.61 89.35 4.35 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.05 1.74 . . . . 0.0 110.812 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm . . . . . 0 C--O 1.258 1.529 0 CA-C-N 113.077 -1.874 . . . . 0.0 113.903 175.894 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.85 131.09 45.45 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.083 -1.417 . . . . 0.0 112.919 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.1 t -132.52 148.79 52.39 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 112.625 -2.08 . . . . 0.0 113.453 -172.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -71.93 130.38 40.86 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.969 174.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.64 147.37 51.45 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 N--CA 1.471 0.613 0 CA-C-N 112.314 -2.221 . . . . 0.0 115.503 -178.085 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 tp . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 121.336 0.589 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.5 p -136.03 -60.54 0.73 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 113.625 -1.625 . . . . 0.0 113.061 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.98 150.59 0.92 Allowed Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.405 1.479 . . . . 0.0 115.264 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 m -108.96 139.78 43.36 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 112.417 -1.891 . . . . 0.0 108.213 173.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.9 t -67.04 108.47 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 122.81 1.29 . . . . 0.0 109.409 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -111.67 163.92 13.6 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.509 2.324 . . . . 0.0 108.815 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.52 116.44 30.75 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.6 -80.86 0.03 OUTLIER Glycine 0 N--CA 1.473 1.119 0 C-N-CA 126.299 1.904 . . . . 0.0 114.59 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 p -125.38 146.15 49.72 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.287 1.435 . . . . 0.0 112.482 -173.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.1 m -100.28 146.14 27.28 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -72.85 146.15 46.43 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.6 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.42 124.52 6.95 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.389 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.12 -47.42 1.03 Allowed Glycine 0 N--CA 1.473 1.117 0 CA-C-N 113.74 -1.573 . . . . 0.0 111.066 -169.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -84.55 98.07 9.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.862 1.315 . . . . 0.0 110.094 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -76.53 116.7 17.46 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 112.962 -1.927 . . . . 0.0 110.993 -176.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -57.01 96.26 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 O-C-N 125.251 1.594 . . . . 0.0 112.535 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.8 p -94.54 -28.25 15.52 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 112.988 -1.914 . . . . 0.0 115.441 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.638 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . . . -134.22 90.5 2.69 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 158.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 p -49.21 -39.75 30.97 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 113.329 -1.76 . . . . 0.0 114.879 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -130.54 140.55 50.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.125 1.37 . . . . 0.0 108.758 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -121.69 -67.31 0.97 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.439 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -135.35 167.98 20.04 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.512 1.525 . . . . 0.0 110.794 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.68 HG23 ' H ' ' A' ' 40' ' ' ILE 0.332 16.8 tt 9.18 -88.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 127.257 2.223 . . . . 0.0 116.708 176.56 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.68 ' H ' HG23 ' A' ' 39' ' ' ILE . 2.1 pp -124.17 37.53 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 171.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.74 138.9 52.92 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.47 1.508 . . . . 0.0 112.341 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -130.52 163.52 26.86 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 127.261 2.224 . . . . 0.0 111.287 -177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.638 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 76.5 m -123.92 121.96 36.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -178.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -126.37 147.56 49.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 113.015 -1.902 . . . . 0.0 114.011 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.442 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -118.29 134.6 54.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.161 175.284 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 48.5 tptt . . . . . 0 C--N 1.329 -0.285 0 C-N-CA 123.459 0.704 . . . . 0.0 111.728 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.99 135.74 36.16 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.546 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 p -136.48 154.21 50.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 123.073 1.416 . . . . 0.0 113.338 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -95.96 146.38 24.65 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 112.57 -2.105 . . . . 0.0 111.135 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.6 m -116.34 143.49 45.48 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 117.651 2.464 . . . . 0.0 117.651 -167.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 . . . . . 0 C--O 1.225 -0.205 0 CA-C-N 112.057 -2.338 . . . . 0.0 113.53 170.893 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 19' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.7 p 47.78 10.9 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 118.68 2.845 . . . . 0.0 118.68 -170.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.525 ' H ' HD23 ' A' ' 17' ' ' LEU . . . -138.48 152.27 21.93 Favored Glycine 0 CA--C 1.524 0.633 0 CA-C-O 123.191 1.439 . . . . 0.0 116.174 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -119.76 140.49 50.65 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 112.891 -1.654 . . . . 0.0 107.303 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.75 104.28 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 114.139 -1.392 . . . . 0.0 107.457 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -96.05 125.92 40.92 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 113.814 -1.539 . . . . 0.0 109.688 -175.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.48 119.22 6.14 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 112.714 -2.039 . . . . 0.0 110.628 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.13 -80.87 1.22 Allowed Glycine 0 N--CA 1.474 1.219 0 CA-C-N 113.666 -1.606 . . . . 0.0 109.606 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.4 t -144.87 -170.02 3.31 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 112.326 -1.937 . . . . 0.0 109.632 -176.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.9 m -66.01 129.53 40.13 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.648 1.179 . . . . 0.0 112.378 175.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -74.36 170.13 16.27 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.548 175.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.49 122.57 11.56 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.666 0.787 . . . . 0.0 111.008 172.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.58 29.66 54.93 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-N 113.431 -1.713 . . . . 0.0 114.818 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.652 ' HB3' ' SG ' ' A' ' 44' ' ' CYS . 21.8 m95 -123.47 147.8 46.84 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.252 1.025 . . . . 0.0 112.291 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -113.41 138.26 50.34 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.292 1.837 . . . . 0.0 110.797 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.56 107.13 3.27 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.85 1.309 . . . . 0.0 113.728 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -86.68 -41.08 14.48 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 112.518 -2.128 . . . . 0.0 112.177 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.661 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -152.35 97.35 2.27 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 127.491 2.316 . . . . 0.0 105.27 163.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 m -37.91 -31.79 0.05 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.575 2.35 . . . . 0.0 117.082 -172.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -132.31 142.74 49.47 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.46 1.504 . . . . 0.0 108.557 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.08 -59.92 1.09 Allowed 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 114.624 -1.171 . . . . 0.0 108.934 165.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.6 p -129.39 159.73 35.29 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.33 1.452 . . . . 0.0 107.994 166.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.3 pt -43.21 -27.38 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 116.731 2.123 . . . . 0.0 116.731 169.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.5 pt -107.47 0.99 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 N-CA-C 115.578 1.695 . . . . 0.0 115.578 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -166.75 136.48 3.04 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.919 0.866 . . . . 0.0 112.759 -174.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -112.56 157.17 21.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.296 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.661 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 22.4 t -87.37 109.1 19.31 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.237 1.018 . . . . 0.0 108.547 170.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' ' 30' ' ' TRP . 14.6 t -129.03 148.38 50.98 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 113.081 -1.872 . . . . 0.0 110.686 -173.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -115.45 145.31 42.7 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.424 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt . . . . . 0 C--O 1.24 0.591 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.597 176.51 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.447 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.27 128.75 37.55 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.237 -1.347 . . . . 0.0 112.678 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.0 t -120.53 142.17 49.57 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 125.188 1.395 . . . . 0.0 112.754 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -73.27 105.26 4.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.279 168.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.1 m -69.12 98.5 1.0 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 113.365 -1.743 . . . . 0.0 113.694 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.471 0.575 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 173.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--O 1.237 0.445 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . 0.27 29.1 p 55.82 -25.09 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 129.746 3.219 . . . . 0.0 118.072 -173.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.86 167.97 12.74 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-O 122.953 1.307 . . . . 0.0 115.049 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.2 m -128.93 146.87 50.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 112.221 -1.99 . . . . 0.0 110.214 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.565 HG12 ' HB1' ' A' ' 41' ' ' ALA . 21.1 t -76.42 102.67 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 112.948 -1.933 . . . . 0.0 106.394 172.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -99.06 135.45 40.45 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 113.678 -1.601 . . . . 0.0 110.548 -173.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.3 mt -57.8 134.69 56.48 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.69 -85.79 0.64 Allowed Glycine 0 CA--C 1.528 0.892 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.389 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 t -120.26 -100.57 0.43 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 111.063 -2.569 . . . . 0.0 108.891 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 96.4 m -124.66 170.76 10.64 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.522 1.529 . . . . 0.0 112.013 170.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -109.56 164.71 12.27 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.35 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.59 115.32 1.73 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.75 -5.21 73.01 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 114.483 -1.235 . . . . 0.0 115.048 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -105.14 133.25 50.23 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.437 1.495 . . . . 0.0 109.066 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -122.45 148.19 45.42 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.566 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -59.89 122.89 15.4 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 45' ' ' ARG . 22.0 p -109.4 -32.23 7.24 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 113.121 -1.854 . . . . 0.0 113.343 174.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.556 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -131.44 106.73 8.43 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.144 1.378 . . . . 0.0 107.523 165.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 p -48.8 -60.69 2.53 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 113.067 -1.878 . . . . 0.0 115.163 -170.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -110.51 127.75 55.32 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.919 0.866 . . . . 0.0 110.313 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -120.2 -71.75 0.72 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 112.697 -2.047 . . . . 0.0 108.418 171.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.4 p -130.23 152.24 49.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.836 1.255 . . . . 0.0 109.209 166.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.7 tp -44.65 -31.16 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.8 pp -106.65 2.77 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.565 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -168.01 119.83 0.85 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.485 1.114 . . . . 0.0 112.09 -174.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -115.5 157.76 23.57 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 113.953 -1.476 . . . . 0.0 113.245 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 39.9 t -94.0 110.1 21.81 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 123.891 1.805 . . . . 0.0 113.034 -169.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.2 m -119.73 145.8 46.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.453 -2.612 . . . . 0.0 111.439 -172.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.497 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 29.6 ttt180 -111.6 143.51 42.36 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.4 1.88 . . . . 0.0 108.984 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tptt . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 122.883 1.325 . . . . 0.0 111.072 179.126 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.24 134.36 34.54 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.584 -2.098 . . . . 0.0 112.22 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . 26.1 p -134.18 159.1 41.94 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 113.604 -1.635 . . . . 0.0 113.143 -176.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -73.82 124.28 25.8 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.76 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.1 t -98.96 131.85 44.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 111.239 -2.71 . . . . 0.0 108.872 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.466 0.353 0 CA-C-N 111.358 -2.655 . . . . 0.0 109.846 172.049 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.2 mt . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.9 p -100.46 68.7 1.39 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.738 -169.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -164.49 158.42 31.1 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-N 111.78 -2.464 . . . . 0.0 110.615 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 m -112.35 139.5 47.85 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 126.037 1.735 . . . . 0.0 108.455 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 t -72.82 115.47 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.311 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -112.96 142.77 45.26 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 114.003 -1.453 . . . . 0.0 109.702 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -84.46 129.46 34.86 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.059 -0.973 . . . . 0.0 113.341 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.09 -87.61 0.18 Allowed Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.59 1.567 . . . . 0.0 112.913 -177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 t -128.42 155.77 44.22 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 113.301 -1.45 . . . . 0.0 110.839 -171.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 89.5 m -105.25 132.6 51.25 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 122.33 1.062 . . . . 0.0 113.255 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -79.02 161.6 26.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 112.937 -1.938 . . . . 0.0 112.269 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.47 121.58 6.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.092 0.957 . . . . 0.0 111.252 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.16 -22.35 14.08 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 114.114 -1.403 . . . . 0.0 113.279 -171.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -101.37 114.68 28.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.148 1.451 . . . . 0.0 110.903 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 113.85 21.84 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 113.218 -1.81 . . . . 0.0 108.678 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.61 98.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 123.6 1.667 . . . . 0.0 114.294 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -53.14 15.96 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 111.673 -2.512 . . . . 0.0 112.993 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.688 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -133.47 100.39 4.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.282 1.833 . . . . 0.0 106.524 171.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.5 p -45.98 -38.87 8.22 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 112.619 -2.082 . . . . 0.0 114.6 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -123.37 137.19 54.88 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 122.075 0.941 . . . . 0.0 110.653 172.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -139.06 175.51 9.49 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 112.803 -1.999 . . . . 0.0 109.855 173.105 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.4 p -40.73 120.21 1.25 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.142 2.275 . . . . 0.0 117.142 -169.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . 0.262 4.0 mp 60.45 -92.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 112.054 -2.339 . . . . 0.0 111.068 -178.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -123.55 47.52 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 123.585 1.659 . . . . 0.0 113.953 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.31 156.3 43.28 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 113.535 -1.666 . . . . 0.0 111.965 -176.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -136.36 133.99 37.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.119 -1.4 . . . . 0.0 111.253 170.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.688 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 45.7 t -89.31 118.27 28.87 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.394 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.0 m -137.59 150.86 47.78 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.69 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.605 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 2.9 tpm_? -119.17 136.24 54.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.964 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.605 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 6.6 tmtt? . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 123.247 1.499 . . . . 0.0 110.389 -175.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.17 108.54 19.66 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 113.336 -1.756 . . . . 0.0 111.588 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.2 t -113.29 154.99 25.91 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 112.233 -2.258 . . . . 0.0 111.897 -173.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -60.05 141.39 55.8 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.518 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 7.3 m -113.26 91.83 3.79 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -173.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.468 0.442 0 CA-C-N 111.958 -2.383 . . . . 0.0 113.577 172.376 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.473 0.715 0 CA-C-O 121.78 0.8 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.7 p -129.17 -59.87 1.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.022 -1.445 . . . . 0.0 112.979 -176.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.3 118.19 2.31 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 127.556 2.503 . . . . 0.0 113.169 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.5 m -74.85 123.52 25.19 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 112.941 -1.63 . . . . 0.0 107.799 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.1 97.83 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 113.906 -1.497 . . . . 0.0 108.149 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -97.44 141.49 30.45 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.087 1.755 . . . . 0.0 110.601 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.51 134.08 45.17 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 113.4 -1.727 . . . . 0.0 112.156 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.53 -62.71 4.52 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 113.441 -1.709 . . . . 0.0 113.722 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.0 m -144.45 154.93 43.45 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.655 1.182 . . . . 0.0 111.929 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.2 m -104.71 142.67 34.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.876 169.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -89.51 176.18 7.0 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.191 -168.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.85 117.83 4.69 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.196 0.998 . . . . 0.0 112.413 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.85 -11.84 69.25 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 113.995 -1.457 . . . . 0.0 114.876 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 60.4 m95 -86.57 96.7 10.18 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 123.681 1.705 . . . . 0.0 110.88 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.83 133.49 41.88 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 112.391 -2.186 . . . . 0.0 110.236 -177.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -73.62 81.04 1.51 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 113.485 -1.689 . . . . 0.0 113.585 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 5' ' ' CYS . 29.1 m -55.46 -52.38 63.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 112.112 -2.313 . . . . 0.0 113.947 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.48 85.57 2.43 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 125.282 1.613 . . . . 0.0 106.681 164.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 p -46.75 -53.31 12.12 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 111.259 -2.701 . . . . 0.0 113.194 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -109.88 120.22 41.78 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 125.345 1.653 . . . . 0.0 108.928 164.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -122.39 -85.24 0.66 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 111.852 -2.431 . . . . 0.0 109.765 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 p -135.75 99.39 4.17 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mp 51.48 -98.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 129.053 2.941 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 pp -100.64 5.83 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.38 109.55 18.51 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.45 1.5 . . . . 0.0 109.81 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -128.19 148.63 50.62 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 113.053 -1.885 . . . . 0.0 111.884 -175.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 33.8 m -87.82 120.99 29.69 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.245 -172.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 30' ' ' TRP . 89.3 m -135.03 138.87 44.35 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.58 1.175 . . . . 0.0 113.197 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.415 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 1.4 tpm_? -126.37 130.17 50.23 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.13 177.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 40.5 tttp . . . . . 0 N--CA 1.466 0.35 0 CA-C-N 114.26 -1.336 . . . . 0.0 108.396 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.7 98.7 11.58 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 113.673 -1.603 . . . . 0.0 111.812 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.49 156.64 29.2 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 113.813 -1.539 . . . . 0.0 112.544 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -80.28 108.08 13.6 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 112.987 -1.915 . . . . 0.0 109.638 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 85.9 m -79.98 112.36 17.21 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 112.373 -2.194 . . . . 0.0 114.403 -173.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 N--CA 1.473 0.697 0 CA-C-N 114.48 -1.236 . . . . 0.0 114.292 172.635 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 N--CA 1.473 0.676 0 CA-C-O 122.292 1.044 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.2 p -134.04 -64.37 0.7 Allowed 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 112.405 -2.18 . . . . 0.0 113.678 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.33 126.92 16.48 Favored Glycine 0 N--CA 1.476 1.332 0 C-N-CA 126.252 1.882 . . . . 0.0 115.206 -171.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 m -81.4 116.62 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 113.627 -1.287 . . . . 0.0 108.446 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.97 96.78 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 112.051 -2.34 . . . . 0.0 107.59 172.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -99.81 126.75 45.95 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 112.957 -1.929 . . . . 0.0 109.597 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.64 124.86 24.78 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.653 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.18 -83.63 0.42 Allowed Glycine 0 CA--C 1.534 1.233 0 CA-C-N 112.511 -2.131 . . . . 0.0 110.99 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.6 t -121.79 172.06 8.43 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 112.463 -1.869 . . . . 0.0 111.515 -174.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.6 m -109.1 173.78 6.16 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.235 1.414 . . . . 0.0 113.051 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -101.78 164.15 11.88 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 113.833 -1.531 . . . . 0.0 111.226 -171.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.75 118.93 5.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.662 1.185 . . . . 0.0 112.249 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.99 -2.47 87.08 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-N 114.634 -1.167 . . . . 0.0 114.662 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -104.67 96.27 6.46 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 123.447 1.594 . . . . 0.0 109.546 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.35 145.33 26.81 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 112.617 -2.083 . . . . 0.0 113.02 -177.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HG3' ' SG ' ' A' ' 44' ' ' CYS . 13.7 mtmt -55.1 113.84 1.52 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 113.155 -1.839 . . . . 0.0 115.046 -177.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -100.27 -36.4 9.29 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 111.487 -2.597 . . . . 0.0 111.377 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.562 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -132.39 99.42 4.67 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 167.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 p -41.37 -67.15 0.27 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 113.085 -1.871 . . . . 0.0 115.087 -168.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -112.18 134.91 53.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.122 1.369 . . . . 0.0 109.977 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.7 -167.89 1.81 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 112.535 -2.12 . . . . 0.0 110.936 175.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.5 p -51.76 125.83 16.13 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.436 HG13 ' H ' ' A' ' 40' ' ' ILE 0.402 10.9 pt 46.94 -91.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -175.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.436 ' H ' HG13 ' A' ' 39' ' ' ILE . 10.0 pt -118.65 52.03 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-O 123.057 1.408 . . . . 0.0 112.691 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.49 145.55 45.26 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 114.324 -1.307 . . . . 0.0 113.186 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.26 137.15 54.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 113.731 -1.577 . . . . 0.0 110.421 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.562 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 46.3 t -102.78 116.17 32.04 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.478 1.132 . . . . 0.0 112.387 -175.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.422 ' SG ' ' HG3' ' A' ' 32' ' ' LYS . 81.6 m -120.7 145.4 47.51 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 112.037 -2.347 . . . . 0.0 114.523 -175.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -114.29 144.62 42.95 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 112.01 -2.359 . . . . 0.0 108.709 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.2 tptt . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 122.29 1.043 . . . . 0.0 111.449 174.699 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.0 129.97 42.17 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 114.088 -1.414 . . . . 0.0 112.267 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t -116.46 129.18 56.08 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 113.52 -1.673 . . . . 0.0 112.867 -173.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -90.2 94.28 9.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 113.401 -1.727 . . . . 0.0 107.636 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.2 p -125.76 152.63 45.12 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 112.554 -2.112 . . . . 0.0 113.53 -168.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 4.3 m-20 . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 116.791 2.145 . . . . 0.0 116.791 -165.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--O 1.239 0.541 0 CA-C-O 122.631 1.205 . . . . 0.0 113.342 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.8 p -109.32 -27.65 9.4 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.612 1.965 . . . . 0.0 112.796 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.29 140.53 41.54 Favored Glycine 0 N--CA 1.475 1.266 0 C-N-CA 125.773 1.654 . . . . 0.0 111.637 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 m -116.39 141.41 48.2 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 113.676 -1.262 . . . . 0.0 108.687 171.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.2 t -70.69 99.93 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 113.684 -1.598 . . . . 0.0 107.222 170.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -99.1 118.53 36.04 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 112.995 -1.911 . . . . 0.0 108.928 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.73 116.39 17.35 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.039 -1.437 . . . . 0.0 112.362 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.8 -70.33 1.74 Allowed Glycine 0 N--CA 1.472 1.077 0 C-N-CA 126.13 1.824 . . . . 0.0 112.37 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -115.68 150.18 37.2 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 113.561 -1.319 . . . . 0.0 112.417 -172.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.0 t -69.73 152.01 45.14 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.227 -1.351 . . . . 0.0 112.564 176.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -65.78 149.14 50.64 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.494 173.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 116.94 5.64 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 114.437 -1.256 . . . . 0.0 112.702 -174.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.87 27.38 72.38 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 113.614 -1.63 . . . . 0.0 114.68 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -107.64 140.49 40.59 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.939 0.876 . . . . 0.0 109.462 174.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -93.86 136.42 34.16 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.151 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -57.24 120.66 8.5 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.869 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 6' ' ' ASP . 48.3 t -104.44 -44.26 4.97 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 112.508 -2.133 . . . . 0.0 112.44 -176.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . . . -140.11 108.2 5.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.54 2.336 . . . . 0.0 107.548 166.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.8 p -50.34 -48.62 55.46 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 124.987 1.315 . . . . 0.0 113.38 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -127.9 129.72 47.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 114.267 -1.333 . . . . 0.0 108.282 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -109.01 -50.28 3.02 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 124.699 1.249 . . . . 0.0 111.458 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.6 t -155.05 174.14 15.59 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.125 1.37 . . . . 0.0 110.686 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.451 HG13 ' H ' ' A' ' 40' ' ' ILE . 8.3 pt -7.68 -75.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 129.041 2.936 . . . . 0.0 116.768 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.451 ' H ' HG13 ' A' ' 39' ' ' ILE . 10.0 pt -123.32 36.01 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 124.442 1.089 . . . . 0.0 113.456 177.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -139.16 137.0 35.68 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 123.134 1.445 . . . . 0.0 114.126 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -114.68 159.87 20.02 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 111.599 -2.546 . . . . 0.0 109.313 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 87.6 m -122.44 116.28 23.69 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 123.084 1.421 . . . . 0.0 111.95 171.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -122.05 146.7 46.94 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 113.221 -1.808 . . . . 0.0 110.972 168.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -106.09 150.4 25.82 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 112.231 -2.259 . . . . 0.0 112.357 -174.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.4 tttm . . . . . 0 N--CA 1.473 0.688 0 CA-C-N 113.733 -1.576 . . . . 0.0 110.112 174.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.63 131.3 34.62 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 113.472 -1.694 . . . . 0.0 111.536 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.0 t -130.11 145.55 51.7 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.273 -1.785 . . . . 0.0 112.161 -175.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -78.21 129.34 34.98 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 112.717 -2.038 . . . . 0.0 111.186 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 m -85.99 152.84 22.6 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 113.888 -1.505 . . . . 0.0 113.68 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 N--CA 1.471 0.6 0 C-N-CA 126.004 1.721 . . . . 0.0 110.624 179.853 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 t -107.18 12.24 28.56 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 112.908 -1.951 . . . . 0.0 114.731 -165.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' HA3' ' SG ' ' A' ' 33' ' ' CYS . . . -115.32 145.28 18.66 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 175.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -101.88 137.27 40.39 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.261 -0.969 . . . . 0.0 109.355 -175.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.9 109.75 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.644 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -112.93 141.23 47.0 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 112.282 -2.235 . . . . 0.0 108.396 -177.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.5 tp -83.72 137.78 33.6 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.153 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.22 -78.22 2.0 Allowed Glycine 0 N--CA 1.473 1.125 0 CA-C-N 114.037 -1.438 . . . . 0.0 113.735 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -151.64 148.35 27.84 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.852 0.861 . . . . 0.0 112.86 -174.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.0 m -62.23 100.21 0.16 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 113.779 -1.555 . . . . 0.0 109.813 168.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -98.23 -147.03 0.32 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 113.297 -1.774 . . . . 0.0 113.498 -167.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.89 104.8 0.21 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.302 1.041 . . . . 0.0 113.342 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.38 11.4 82.14 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 113.495 -1.684 . . . . 0.0 115.26 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.556 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 90.0 m95 -108.09 117.71 34.85 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.333 1.063 . . . . 0.0 109.966 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -92.81 139.34 30.64 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 113.465 -1.698 . . . . 0.0 109.546 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -58.08 123.69 16.78 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.391 1.091 . . . . 0.0 111.939 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' HA3' ' A' ' 19' ' ' GLY . 6.5 t -99.42 -65.36 0.97 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 112.743 -2.026 . . . . 0.0 108.709 173.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -138.83 128.23 24.38 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.523 1.129 . . . . 0.0 109.264 173.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.1 p -55.07 -39.07 68.85 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -175.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -128.77 140.33 51.77 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.198 0.599 . . . . 0.0 112.318 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -125.22 -76.91 0.59 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 113.58 -1.646 . . . . 0.0 110.532 166.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -139.95 120.19 13.85 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.393 1.077 . . . . 0.0 112.528 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.416 HG13 ' H ' ' A' ' 40' ' ' ILE 0.363 10.3 pt 40.12 -92.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 127.318 2.247 . . . . 0.0 115.993 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.416 ' H ' HG13 ' A' ' 39' ' ' ILE . 16.8 pt -100.0 25.53 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.3 132.14 50.34 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.359 1.463 . . . . 0.0 113.176 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -127.01 152.05 47.76 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 111.545 -2.57 . . . . 0.0 110.592 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 29.2 m -94.11 121.49 35.67 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.743 1.259 . . . . 0.0 110.669 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 30' ' ' TRP . 34.1 m -131.55 137.39 48.46 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 112.081 -2.327 . . . . 0.0 109.556 -175.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.7 ttp-105 -113.64 113.97 25.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.011 1.725 . . . . 0.0 108.617 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 76.7 tttt . . . . . 0 N--CA 1.471 0.578 0 CA-C-N 114.445 -1.252 . . . . 0.0 112.843 -171.291 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.85 131.09 45.45 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.083 -1.417 . . . . 0.0 112.919 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.1 t -132.52 148.79 52.39 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 112.625 -2.08 . . . . 0.0 113.453 -172.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -71.93 130.38 40.86 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.969 174.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.64 147.37 51.45 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.587 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 4.6 p-10 -114.26 -28.76 7.15 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 112.314 -2.221 . . . . 0.0 115.503 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -115.32 71.85 0.78 Allowed 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 122.316 1.055 . . . . 0.0 113.239 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.58 73.14 2.58 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.028 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.56 -112.08 1.09 Allowed Glycine 0 N--CA 1.472 1.035 0 C-N-CA 126.515 2.007 . . . . 0.0 112.909 173.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -62.7 -55.04 0.96 Allowed 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 122.904 2.403 . . . . 0.0 113.311 171.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -96.56 68.68 2.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 123.059 1.409 . . . . 0.0 111.791 -174.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.486 HG13 ' H ' ' A' ' 13' ' ' ARG 0.301 9.3 pt -38.4 -81.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 110.821 -2.9 . . . . 0.0 117.83 -171.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.587 ' HE ' ' HA ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -93.5 85.8 5.03 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.626 1.204 . . . . 0.0 112.069 177.714 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.9 p -126.76 -77.55 0.58 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 112.793 -2.003 . . . . 0.0 112.942 173.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.14 106.23 46.9 Favored Pre-proline 0 N--CA 1.467 0.412 0 C-N-CA 126.814 2.046 . . . . 0.0 111.482 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -61.77 -74.33 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.859 3.039 . . . . 0.0 114.855 -174.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 tp -76.17 93.92 3.43 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.231 0.612 . . . . 0.0 110.621 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.5 p -136.03 -60.54 0.73 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 113.625 -1.625 . . . . 0.0 113.061 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.98 150.59 0.92 Allowed Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.405 1.479 . . . . 0.0 115.264 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 m -108.96 139.78 43.36 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 112.417 -1.891 . . . . 0.0 108.213 173.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.9 t -67.04 108.47 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 122.81 1.29 . . . . 0.0 109.409 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -111.67 163.92 13.6 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.509 2.324 . . . . 0.0 108.815 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.52 116.44 30.75 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.6 -80.86 0.03 OUTLIER Glycine 0 N--CA 1.473 1.119 0 C-N-CA 126.299 1.904 . . . . 0.0 114.59 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 p -125.38 146.15 49.72 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.287 1.435 . . . . 0.0 112.482 -173.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.1 m -100.28 146.14 27.28 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -72.85 146.15 46.43 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.6 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.42 124.52 6.95 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.389 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.12 -47.42 1.03 Allowed Glycine 0 N--CA 1.473 1.117 0 CA-C-N 113.74 -1.573 . . . . 0.0 111.066 -169.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -84.55 98.07 9.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.862 1.315 . . . . 0.0 110.094 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -76.53 116.7 17.46 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 112.962 -1.927 . . . . 0.0 110.993 -176.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -57.01 96.26 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 O-C-N 125.251 1.594 . . . . 0.0 112.535 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.8 p -94.54 -28.25 15.52 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 112.988 -1.914 . . . . 0.0 115.441 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.638 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . . . -134.22 90.5 2.69 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 158.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 p -49.21 -39.75 30.97 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 113.329 -1.76 . . . . 0.0 114.879 -171.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -130.54 140.55 50.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.125 1.37 . . . . 0.0 108.758 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -121.69 -67.31 0.97 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.439 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -135.35 167.98 20.04 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.512 1.525 . . . . 0.0 110.794 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.68 HG23 ' H ' ' A' ' 40' ' ' ILE 0.332 16.8 tt 9.18 -88.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 127.257 2.223 . . . . 0.0 116.708 176.56 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.68 ' H ' HG23 ' A' ' 39' ' ' ILE . 2.1 pp -124.17 37.53 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 171.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.74 138.9 52.92 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.47 1.508 . . . . 0.0 112.341 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -130.52 163.52 26.86 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 127.261 2.224 . . . . 0.0 111.287 -177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.638 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 76.5 m -123.92 121.96 36.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -178.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.6 m -126.37 147.56 49.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 113.015 -1.902 . . . . 0.0 114.011 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HE ' ' HD2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -118.29 134.6 54.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.161 175.284 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 48.5 tptt -71.19 108.86 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.459 0.704 . . . . 0.0 111.728 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 65.12 -46.41 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 129.334 3.053 . . . . 0.0 118.453 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HD2' ' HE ' ' A' ' 45' ' ' ARG . 82.7 mttt . . . . . 0 C--O 1.247 0.939 0 C-N-CA 127.268 2.227 . . . . 0.0 113.591 -175.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.99 135.74 36.16 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.546 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 p -136.48 154.21 50.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 123.073 1.416 . . . . 0.0 113.338 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -95.96 146.38 24.65 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 112.57 -2.105 . . . . 0.0 111.135 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.6 m -116.34 143.49 45.48 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 117.651 2.464 . . . . 0.0 117.651 -167.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.475 ' OD1' HG23 ' A' ' 12' ' ' ILE . 68.1 m-20 -77.11 -35.88 56.01 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 112.057 -2.338 . . . . 0.0 113.53 170.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -78.63 39.97 0.36 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 126.156 1.782 . . . . 0.0 111.914 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -158.19 -65.4 0.09 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 128.138 2.575 . . . . 0.0 107.947 -172.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.39 129.99 6.23 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 172.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -54.04 -33.11 71.89 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.43 2.753 . . . . 0.0 114.281 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -100.94 108.83 20.68 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 166.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.475 HG23 ' OD1' ' A' ' 6' ' ' ASP . 6.5 pt -35.17 -49.7 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 173.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.21 -27.81 69.24 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -176.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 38.2 p -110.73 45.23 1.17 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.588 1.155 . . . . 0.0 110.981 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.58 119.75 13.12 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 125.539 1.536 . . . . 0.0 110.443 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -73.65 73.24 3.54 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 123.954 3.103 . . . . 0.0 116.182 -173.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 19' ' ' GLY . 0.5 OUTLIER 64.79 -97.57 0.06 Allowed 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 127.878 2.471 . . . . 0.0 114.031 172.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.7 p 47.78 10.9 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 118.68 2.845 . . . . 0.0 118.68 -170.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.525 ' H ' HD23 ' A' ' 17' ' ' LEU . . . -138.48 152.27 21.93 Favored Glycine 0 CA--C 1.524 0.633 0 CA-C-O 123.191 1.439 . . . . 0.0 116.174 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -119.76 140.49 50.65 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 112.891 -1.654 . . . . 0.0 107.303 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.75 104.28 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 114.139 -1.392 . . . . 0.0 107.457 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -96.05 125.92 40.92 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 113.814 -1.539 . . . . 0.0 109.688 -175.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.48 119.22 6.14 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 112.714 -2.039 . . . . 0.0 110.628 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.13 -80.87 1.22 Allowed Glycine 0 N--CA 1.474 1.219 0 CA-C-N 113.666 -1.606 . . . . 0.0 109.606 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.4 t -144.87 -170.02 3.31 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 112.326 -1.937 . . . . 0.0 109.632 -176.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.9 m -66.01 129.53 40.13 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.648 1.179 . . . . 0.0 112.378 175.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -74.36 170.13 16.27 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.548 175.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.49 122.57 11.56 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.666 0.787 . . . . 0.0 111.008 172.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.58 29.66 54.93 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-N 113.431 -1.713 . . . . 0.0 114.818 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.652 ' HB3' ' SG ' ' A' ' 44' ' ' CYS . 21.8 m95 -123.47 147.8 46.84 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.252 1.025 . . . . 0.0 112.291 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -113.41 138.26 50.34 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.292 1.837 . . . . 0.0 110.797 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.56 107.13 3.27 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.85 1.309 . . . . 0.0 113.728 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -86.68 -41.08 14.48 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 112.518 -2.128 . . . . 0.0 112.177 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.661 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -152.35 97.35 2.27 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 127.491 2.316 . . . . 0.0 105.27 163.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 m -37.91 -31.79 0.05 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.575 2.35 . . . . 0.0 117.082 -172.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -132.31 142.74 49.47 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.46 1.504 . . . . 0.0 108.557 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.08 -59.92 1.09 Allowed 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 114.624 -1.171 . . . . 0.0 108.934 165.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.6 p -129.39 159.73 35.29 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.33 1.452 . . . . 0.0 107.994 166.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.3 pt -43.21 -27.38 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 N-CA-C 116.731 2.123 . . . . 0.0 116.731 169.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.5 pt -107.47 0.99 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 N-CA-C 115.578 1.695 . . . . 0.0 115.578 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -166.75 136.48 3.04 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.919 0.866 . . . . 0.0 112.759 -174.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -112.56 157.17 21.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.296 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.661 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 22.4 t -87.37 109.1 19.31 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.237 1.018 . . . . 0.0 108.547 170.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' ' 30' ' ' TRP . 14.6 t -129.03 148.38 50.98 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 113.081 -1.872 . . . . 0.0 110.686 -173.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -115.45 145.31 42.7 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.424 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -73.1 129.96 39.24 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.597 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -72.94 96.02 2.06 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 122.642 1.21 . . . . 0.0 111.727 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? . . . . . 0 C--O 1.257 1.463 0 CA-C-N 113.321 -1.763 . . . . 0.0 114.144 179.075 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.447 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.27 128.75 37.55 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.237 -1.347 . . . . 0.0 112.678 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.0 t -120.53 142.17 49.57 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 125.188 1.395 . . . . 0.0 112.754 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -73.27 105.26 4.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.279 168.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 17.1 m -69.12 98.5 1.0 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 113.365 -1.743 . . . . 0.0 113.694 176.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -48.38 -46.11 36.64 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 173.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.16 61.51 1.08 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 122.542 1.163 . . . . 0.0 111.052 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 5' ' ' CYS . 19.6 tt0 -89.79 70.49 7.67 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 113.869 -1.514 . . . . 0.0 107.47 174.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.1 -98.08 2.33 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 112.191 -2.277 . . . . 0.0 107.497 -169.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -70.88 178.72 4.95 Favored 'Trans proline' 0 C--N 1.33 -0.417 0 C-N-CA 122.821 2.347 . . . . 0.0 110.427 167.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.98 96.13 8.68 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 122.748 1.261 . . . . 0.0 111.266 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 pt -130.4 105.42 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 111.659 -2.518 . . . . 0.0 110.671 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.565 ' CZ ' ' H ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -56.1 -46.4 79.11 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 122.077 0.941 . . . . 0.0 112.045 177.64 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 p -83.15 64.98 7.98 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.616 1.566 . . . . 0.0 110.858 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . . . -97.91 142.32 24.38 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 112.857 -1.974 . . . . 0.0 113.097 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 67.3 Cg_exo -68.75 63.38 1.26 Allowed 'Trans proline' 0 C--N 1.327 -0.602 0 C-N-CA 123.239 2.626 . . . . 0.0 114.986 172.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.7 mt 50.73 -88.34 0.01 OUTLIER 'General case' 0 C--O 1.237 0.445 0 C-N-CA 127.855 2.462 . . . . 0.0 115.96 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . 0.27 29.1 p 55.82 -25.09 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 129.746 3.219 . . . . 0.0 118.072 -173.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.86 167.97 12.74 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-O 122.953 1.307 . . . . 0.0 115.049 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.2 m -128.93 146.87 50.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 112.221 -1.99 . . . . 0.0 110.214 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.565 HG12 ' HB1' ' A' ' 41' ' ' ALA . 21.1 t -76.42 102.67 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 112.948 -1.933 . . . . 0.0 106.394 172.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -99.06 135.45 40.45 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 113.678 -1.601 . . . . 0.0 110.548 -173.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.3 mt -57.8 134.69 56.48 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.69 -85.79 0.64 Allowed Glycine 0 CA--C 1.528 0.892 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.389 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 t -120.26 -100.57 0.43 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 111.063 -2.569 . . . . 0.0 108.891 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 96.4 m -124.66 170.76 10.64 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.522 1.529 . . . . 0.0 112.013 170.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -109.56 164.71 12.27 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.35 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.59 115.32 1.73 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.75 -5.21 73.01 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-N 114.483 -1.235 . . . . 0.0 115.048 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -105.14 133.25 50.23 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.437 1.495 . . . . 0.0 109.066 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -122.45 148.19 45.42 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.566 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -59.89 122.89 15.4 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 45' ' ' ARG . 22.0 p -109.4 -32.23 7.24 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 113.121 -1.854 . . . . 0.0 113.343 174.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.556 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -131.44 106.73 8.43 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.144 1.378 . . . . 0.0 107.523 165.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 p -48.8 -60.69 2.53 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 113.067 -1.878 . . . . 0.0 115.163 -170.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -110.51 127.75 55.32 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.919 0.866 . . . . 0.0 110.313 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -120.2 -71.75 0.72 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 112.697 -2.047 . . . . 0.0 108.418 171.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.4 p -130.23 152.24 49.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.836 1.255 . . . . 0.0 109.209 166.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.7 tp -44.65 -31.16 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.8 pp -106.65 2.77 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.565 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -168.01 119.83 0.85 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.485 1.114 . . . . 0.0 112.09 -174.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -115.5 157.76 23.57 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 113.953 -1.476 . . . . 0.0 113.245 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 39.9 t -94.0 110.1 21.81 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 123.891 1.805 . . . . 0.0 113.034 -169.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.2 m -119.73 145.8 46.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.453 -2.612 . . . . 0.0 111.439 -172.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.497 ' HB2' ' HB3' ' A' ' 33' ' ' CYS . 29.6 ttt180 -111.6 143.51 42.36 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.4 1.88 . . . . 0.0 108.984 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -77.02 89.41 3.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.883 1.325 . . . . 0.0 111.072 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -152.48 138.27 17.96 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 112.636 -2.074 . . . . 0.0 110.338 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm . . . . . 0 C--O 1.252 1.208 0 CA-C-O 116.209 -1.853 . . . . 0.0 114.761 -175.465 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.24 134.36 34.54 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 112.584 -2.098 . . . . 0.0 112.22 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . 26.1 p -134.18 159.1 41.94 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 113.604 -1.635 . . . . 0.0 113.143 -176.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -73.82 124.28 25.8 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.76 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.1 t -98.96 131.85 44.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 111.239 -2.71 . . . . 0.0 108.872 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 6.8 m-20 -99.67 -46.45 5.42 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 111.358 -2.655 . . . . 0.0 109.846 172.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -100.76 86.92 3.2 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 122.982 1.372 . . . . 0.0 110.959 -175.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -86.41 72.49 10.3 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 113.613 -1.631 . . . . 0.0 107.578 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.39 -115.87 8.39 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 112.304 -2.225 . . . . 0.0 109.423 -170.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -69.51 -29.2 25.44 Favored 'Trans proline' 0 C--N 1.331 -0.369 0 C-N-CA 122.624 2.216 . . . . 0.0 114.381 170.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -81.28 96.36 7.26 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.798 1.239 . . . . 0.0 112.707 -169.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 6' ' ' ASP 0.259 1.1 pp -78.54 90.99 1.3 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-O 123.252 1.501 . . . . 0.0 114.44 168.512 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.67 105.25 8.86 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 111.419 -2.628 . . . . 0.0 105.255 173.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 48.5 p -84.26 65.3 8.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 112.314 -2.221 . . . . 0.0 111.35 -169.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -157.16 -51.07 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.513 0 N-CA-C 120.742 3.608 . . . . 0.0 120.742 -175.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.15 128.1 26.46 Favored 'Trans proline' 0 C--N 1.332 -0.314 0 C-N-CA 124.296 3.331 . . . . 0.0 112.287 -173.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.06 28.78 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.9 p -100.46 68.7 1.39 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.738 -169.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -164.49 158.42 31.1 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-N 111.78 -2.464 . . . . 0.0 110.615 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 m -112.35 139.5 47.85 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 126.037 1.735 . . . . 0.0 108.455 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 t -72.82 115.47 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.311 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -112.96 142.77 45.26 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 114.003 -1.453 . . . . 0.0 109.702 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -84.46 129.46 34.86 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.059 -0.973 . . . . 0.0 113.341 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.09 -87.61 0.18 Allowed Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.59 1.567 . . . . 0.0 112.913 -177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 t -128.42 155.77 44.22 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 113.301 -1.45 . . . . 0.0 110.839 -171.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 89.5 m -105.25 132.6 51.25 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 122.33 1.062 . . . . 0.0 113.255 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -79.02 161.6 26.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 112.937 -1.938 . . . . 0.0 112.269 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.47 121.58 6.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.092 0.957 . . . . 0.0 111.252 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.16 -22.35 14.08 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 114.114 -1.403 . . . . 0.0 113.279 -171.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -101.37 114.68 28.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.148 1.451 . . . . 0.0 110.903 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 113.85 21.84 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 113.218 -1.81 . . . . 0.0 108.678 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.61 98.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 123.6 1.667 . . . . 0.0 114.294 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -53.14 15.96 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 111.673 -2.512 . . . . 0.0 112.993 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.688 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -133.47 100.39 4.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.282 1.833 . . . . 0.0 106.524 171.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.5 p -45.98 -38.87 8.22 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 112.619 -2.082 . . . . 0.0 114.6 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -123.37 137.19 54.88 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 122.075 0.941 . . . . 0.0 110.653 172.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -139.06 175.51 9.49 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 112.803 -1.999 . . . . 0.0 109.855 173.105 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.4 p -40.73 120.21 1.25 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.142 2.275 . . . . 0.0 117.142 -169.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . 0.262 4.0 mp 60.45 -92.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 112.054 -2.339 . . . . 0.0 111.068 -178.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -123.55 47.52 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 123.585 1.659 . . . . 0.0 113.953 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.31 156.3 43.28 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 113.535 -1.666 . . . . 0.0 111.965 -176.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -136.36 133.99 37.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.119 -1.4 . . . . 0.0 111.253 170.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.688 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 45.7 t -89.31 118.27 28.87 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.394 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.0 m -137.59 150.86 47.78 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.69 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.605 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 2.9 tpm_? -119.17 136.24 54.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.964 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.605 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 6.6 tmtt? -84.15 106.67 15.97 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 123.247 1.499 . . . . 0.0 110.389 -175.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -78.18 82.53 4.49 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 112.636 -2.075 . . . . 0.0 112.39 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 pttm . . . . . 0 C--O 1.25 1.105 0 CA-C-N 112.541 -2.118 . . . . 0.0 114.384 178.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.17 108.54 19.66 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 113.336 -1.756 . . . . 0.0 111.588 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.2 t -113.29 154.99 25.91 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 112.233 -2.258 . . . . 0.0 111.897 -173.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -60.05 141.39 55.8 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.518 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 7.3 m -113.26 91.83 3.79 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -173.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.41 -24.34 42.6 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 111.958 -2.383 . . . . 0.0 113.577 172.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -121.53 83.48 2.09 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 122.223 1.011 . . . . 0.0 111.739 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -136.37 92.06 2.73 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.285 2.234 . . . . 0.0 110.988 171.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.64 -123.52 11.52 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 112.854 -1.976 . . . . 0.0 112.326 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -70.14 75.13 1.4 Allowed 'Trans proline' 0 C--N 1.33 -0.43 0 C-N-CA 122.873 2.382 . . . . 0.0 109.886 167.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 61.92 -72.7 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.454 2.302 . . . . 0.0 115.123 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 pp -128.17 78.52 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -168.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -81.4 -83.25 0.12 Allowed 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.22 168.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.1 p -85.88 58.37 5.01 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.849 1.309 . . . . 0.0 113.383 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.47 -43.94 81.39 Favored Pre-proline 0 N--CA 1.476 0.866 0 N-CA-C 119.984 3.327 . . . . 0.0 119.984 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -73.63 -152.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.325 -0.663 0 C-N-CA 122.103 1.869 . . . . 0.0 111.422 -177.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.49 90.71 3.88 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.104 0.962 . . . . 0.0 111.647 -173.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.7 p -129.17 -59.87 1.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.022 -1.445 . . . . 0.0 112.979 -176.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -44.3 118.19 2.31 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 127.556 2.503 . . . . 0.0 113.169 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.5 m -74.85 123.52 25.19 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 112.941 -1.63 . . . . 0.0 107.799 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.1 97.83 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 113.906 -1.497 . . . . 0.0 108.149 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -97.44 141.49 30.45 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.087 1.755 . . . . 0.0 110.601 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.51 134.08 45.17 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 113.4 -1.727 . . . . 0.0 112.156 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.53 -62.71 4.52 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 113.441 -1.709 . . . . 0.0 113.722 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.0 m -144.45 154.93 43.45 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.655 1.182 . . . . 0.0 111.929 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.2 m -104.71 142.67 34.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.876 169.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -89.51 176.18 7.0 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.191 -168.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.85 117.83 4.69 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.196 0.998 . . . . 0.0 112.413 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.85 -11.84 69.25 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 113.995 -1.457 . . . . 0.0 114.876 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 60.4 m95 -86.57 96.7 10.18 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 123.681 1.705 . . . . 0.0 110.88 -178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.83 133.49 41.88 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 112.391 -2.186 . . . . 0.0 110.236 -177.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -73.62 81.04 1.51 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 113.485 -1.689 . . . . 0.0 113.585 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 5' ' ' CYS . 29.1 m -55.46 -52.38 63.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 112.112 -2.313 . . . . 0.0 113.947 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -124.48 85.57 2.43 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 125.282 1.613 . . . . 0.0 106.681 164.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 p -46.75 -53.31 12.12 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 111.259 -2.701 . . . . 0.0 113.194 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -109.88 120.22 41.78 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 125.345 1.653 . . . . 0.0 108.928 164.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -122.39 -85.24 0.66 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 111.852 -2.431 . . . . 0.0 109.765 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 p -135.75 99.39 4.17 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mp 51.48 -98.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 129.053 2.941 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 pp -100.64 5.83 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.38 109.55 18.51 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.45 1.5 . . . . 0.0 109.81 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -128.19 148.63 50.62 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 113.053 -1.885 . . . . 0.0 111.884 -175.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 33.8 m -87.82 120.99 29.69 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.245 -172.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 30' ' ' TRP . 89.3 m -135.03 138.87 44.35 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.58 1.175 . . . . 0.0 113.197 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.415 ' CZ ' ' H ' ' A' ' 46' ' ' LYS . 1.4 tpm_? -126.37 130.17 50.23 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.13 177.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' H ' ' CZ ' ' A' ' 45' ' ' ARG . 40.5 tttp -73.33 108.64 6.31 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.26 -1.336 . . . . 0.0 108.396 177.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -7.06 93.58 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 118.248 2.684 . . . . 0.0 118.248 -175.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' NZ ' HH21 ' A' ' 45' ' ' ARG . 60.1 mttp . . . . . 0 C--O 1.247 0.95 0 CA-C-N 112.828 -1.987 . . . . 0.0 112.795 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.7 98.7 11.58 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 113.673 -1.603 . . . . 0.0 111.812 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.49 156.64 29.2 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 113.813 -1.539 . . . . 0.0 112.544 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -80.28 108.08 13.6 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 112.987 -1.915 . . . . 0.0 109.638 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 85.9 m -79.98 112.36 17.21 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 112.373 -2.194 . . . . 0.0 114.403 -173.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.13 -41.67 97.12 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.48 -1.236 . . . . 0.0 114.292 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 16.0 m-20 -87.52 74.69 9.25 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 169.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -69.41 75.35 0.38 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 111.955 -2.384 . . . . 0.0 110.992 -176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.1 155.75 12.27 Favored Glycine 0 N--CA 1.47 0.961 0 CA-C-N 112.631 -2.077 . . . . 0.0 113.276 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -59.24 -9.49 8.49 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 123.797 2.998 . . . . 0.0 115.798 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.28 65.07 4.55 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 123.149 1.452 . . . . 0.0 112.044 -172.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.467 ' HA ' HH21 ' A' ' 45' ' ' ARG . 4.3 mp -82.38 88.63 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 114.072 -1.422 . . . . 0.0 107.182 175.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -73.68 -37.78 65.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 112.25 -2.25 . . . . 0.0 113.292 173.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 p -126.49 -79.14 0.59 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 113.905 -1.498 . . . . 0.0 112.615 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 18' ' ' THR . . . -141.44 -169.1 0.21 Allowed Pre-proline 0 C--O 1.234 0.286 0 C-N-CA 126.956 2.102 . . . . 0.0 109.727 -176.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -56.58 -31.2 85.94 Favored 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 122.296 1.997 . . . . 0.0 112.84 156.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.8 mt -75.19 93.21 2.78 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.722 1.209 . . . . 0.0 110.84 168.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 15' ' ' ALA . 11.2 p -134.04 -64.37 0.7 Allowed 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 112.405 -2.18 . . . . 0.0 113.678 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.33 126.92 16.48 Favored Glycine 0 N--CA 1.476 1.332 0 C-N-CA 126.252 1.882 . . . . 0.0 115.206 -171.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 m -81.4 116.62 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 113.627 -1.287 . . . . 0.0 108.446 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.97 96.78 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 112.051 -2.34 . . . . 0.0 107.59 172.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -99.81 126.75 45.95 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 112.957 -1.929 . . . . 0.0 109.597 -173.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.64 124.86 24.78 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.653 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.18 -83.63 0.42 Allowed Glycine 0 CA--C 1.534 1.233 0 CA-C-N 112.511 -2.131 . . . . 0.0 110.99 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.6 t -121.79 172.06 8.43 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 112.463 -1.869 . . . . 0.0 111.515 -174.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.6 m -109.1 173.78 6.16 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.235 1.414 . . . . 0.0 113.051 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -101.78 164.15 11.88 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 113.833 -1.531 . . . . 0.0 111.226 -171.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.75 118.93 5.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.662 1.185 . . . . 0.0 112.249 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.99 -2.47 87.08 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-N 114.634 -1.167 . . . . 0.0 114.662 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -104.67 96.27 6.46 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 123.447 1.594 . . . . 0.0 109.546 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.35 145.33 26.81 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 112.617 -2.083 . . . . 0.0 113.02 -177.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HG3' ' SG ' ' A' ' 44' ' ' CYS . 13.7 mtmt -55.1 113.84 1.52 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 113.155 -1.839 . . . . 0.0 115.046 -177.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.606 ' HA ' ' HB2' ' A' ' 7' ' ' ASP . 1.7 p -100.27 -36.4 9.29 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 111.487 -2.597 . . . . 0.0 111.377 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.562 ' HB3' ' HB3' ' A' ' 43' ' ' CYS . . . -132.39 99.42 4.67 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 167.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 p -41.37 -67.15 0.27 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 113.085 -1.871 . . . . 0.0 115.087 -168.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -112.18 134.91 53.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.122 1.369 . . . . 0.0 109.977 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.7 -167.89 1.81 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 112.535 -2.12 . . . . 0.0 110.936 175.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.5 p -51.76 125.83 16.13 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.436 HG13 ' H ' ' A' ' 40' ' ' ILE 0.402 10.9 pt 46.94 -91.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -175.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.436 ' H ' HG13 ' A' ' 39' ' ' ILE . 10.0 pt -118.65 52.03 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-O 123.057 1.408 . . . . 0.0 112.691 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.49 145.55 45.26 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 114.324 -1.307 . . . . 0.0 113.186 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.26 137.15 54.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 113.731 -1.577 . . . . 0.0 110.421 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.562 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 46.3 t -102.78 116.17 32.04 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 122.478 1.132 . . . . 0.0 112.387 -175.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.422 ' SG ' ' HG3' ' A' ' 32' ' ' LYS . 81.6 m -120.7 145.4 47.51 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 112.037 -2.347 . . . . 0.0 114.523 -175.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.467 HH21 ' HA ' ' A' ' 12' ' ' ILE . 13.1 ttt85 -114.29 144.62 42.95 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 112.01 -2.359 . . . . 0.0 108.709 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -69.31 91.87 0.56 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 122.29 1.043 . . . . 0.0 111.449 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -148.81 101.01 3.15 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 113.238 -1.801 . . . . 0.0 110.18 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.254 0.0 OUTLIER . . . . . 0 C--O 1.244 0.801 0 N-CA-C 119.905 3.298 . . . . 0.0 119.905 177.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.0 129.97 42.17 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 114.088 -1.414 . . . . 0.0 112.267 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t -116.46 129.18 56.08 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 113.52 -1.673 . . . . 0.0 112.867 -173.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -90.2 94.28 9.7 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 113.401 -1.727 . . . . 0.0 107.636 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.2 p -125.76 152.63 45.12 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 112.554 -2.112 . . . . 0.0 113.53 -168.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 4.3 m-20 -30.62 -66.58 0.1 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 116.791 2.145 . . . . 0.0 116.791 -165.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -81.33 26.08 0.47 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 117.678 2.473 . . . . 0.0 117.678 -170.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -97.56 60.67 1.59 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 122.651 1.215 . . . . 0.0 111.321 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 46.45 -117.48 2.88 Favored Glycine 0 N--CA 1.47 0.948 0 C-N-CA 126.128 1.823 . . . . 0.0 113.601 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.7 69.79 7.64 Favored 'Trans proline' 0 N--CA 1.477 0.558 0 C-N-CA 122.548 2.165 . . . . 0.0 111.242 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.463 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 21.2 t70 -63.84 -6.05 5.28 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -171.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 mp -89.22 93.6 4.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 78.44 -56.37 0.47 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 127.151 2.18 . . . . 0.0 112.968 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 p -84.83 53.32 2.67 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.337 1.855 . . . . 0.0 112.6 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HB2' ' HA ' ' A' ' 11' ' ' ASP . . . -95.71 132.21 27.79 Favored Pre-proline 0 N--CA 1.469 0.511 0 CA-C-N 113.481 -1.691 . . . . 0.0 112.083 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -66.44 87.27 0.27 Allowed 'Trans proline' 0 C--N 1.329 -0.481 0 C-N-CA 122.885 2.39 . . . . 0.0 109.59 164.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.48 80.69 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 126.417 1.887 . . . . 0.0 113.342 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.8 p -109.32 -27.65 9.4 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.612 1.965 . . . . 0.0 112.796 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.29 140.53 41.54 Favored Glycine 0 N--CA 1.475 1.266 0 C-N-CA 125.773 1.654 . . . . 0.0 111.637 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 m -116.39 141.41 48.2 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 113.676 -1.262 . . . . 0.0 108.687 171.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.2 t -70.69 99.93 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 113.684 -1.598 . . . . 0.0 107.222 170.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -99.1 118.53 36.04 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 112.995 -1.911 . . . . 0.0 108.928 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.73 116.39 17.35 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.039 -1.437 . . . . 0.0 112.362 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.8 -70.33 1.74 Allowed Glycine 0 N--CA 1.472 1.077 0 C-N-CA 126.13 1.824 . . . . 0.0 112.37 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -115.68 150.18 37.2 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 113.561 -1.319 . . . . 0.0 112.417 -172.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.0 t -69.73 152.01 45.14 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.227 -1.351 . . . . 0.0 112.564 176.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -65.78 149.14 50.64 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.494 173.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 116.94 5.64 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 114.437 -1.256 . . . . 0.0 112.702 -174.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.87 27.38 72.38 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 113.614 -1.63 . . . . 0.0 114.68 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -107.64 140.49 40.59 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.939 0.876 . . . . 0.0 109.462 174.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -93.86 136.42 34.16 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.151 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -57.24 120.66 8.5 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.173 -1.376 . . . . 0.0 113.869 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 6' ' ' ASP . 48.3 t -104.44 -44.26 4.97 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 112.508 -2.133 . . . . 0.0 112.44 -176.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . . . -140.11 108.2 5.75 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.54 2.336 . . . . 0.0 107.548 166.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.8 p -50.34 -48.62 55.46 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 124.987 1.315 . . . . 0.0 113.38 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -127.9 129.72 47.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 114.267 -1.333 . . . . 0.0 108.282 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -109.01 -50.28 3.02 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 124.699 1.249 . . . . 0.0 111.458 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.6 t -155.05 174.14 15.59 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.125 1.37 . . . . 0.0 110.686 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.451 HG13 ' H ' ' A' ' 40' ' ' ILE . 8.3 pt -7.68 -75.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 129.041 2.936 . . . . 0.0 116.768 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.451 ' H ' HG13 ' A' ' 39' ' ' ILE . 10.0 pt -123.32 36.01 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 124.442 1.089 . . . . 0.0 113.456 177.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -139.16 137.0 35.68 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 123.134 1.445 . . . . 0.0 114.126 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -114.68 159.87 20.02 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 111.599 -2.546 . . . . 0.0 109.313 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 87.6 m -122.44 116.28 23.69 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 123.084 1.421 . . . . 0.0 111.95 171.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -122.05 146.7 46.94 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 113.221 -1.808 . . . . 0.0 110.972 168.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -106.09 150.4 25.82 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 112.231 -2.259 . . . . 0.0 112.357 -174.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -68.24 95.22 0.57 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 113.733 -1.576 . . . . 0.0 110.112 174.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -157.07 115.62 3.27 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 111.519 -2.582 . . . . 0.0 106.505 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt . . . . . 0 C--O 1.249 1.078 0 CA-C-N 114.375 -1.284 . . . . 0.0 113.404 -173.327 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.63 131.3 34.62 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 113.472 -1.694 . . . . 0.0 111.536 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.0 t -130.11 145.55 51.7 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.273 -1.785 . . . . 0.0 112.161 -175.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -78.21 129.34 34.98 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 112.717 -2.038 . . . . 0.0 111.186 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 m -85.99 152.84 22.6 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 113.888 -1.505 . . . . 0.0 113.68 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -76.96 79.45 3.51 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.004 1.721 . . . . 0.0 110.624 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 52.2 86.81 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 173.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -86.87 66.29 9.37 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 113.53 -1.668 . . . . 0.0 110.895 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.65 -107.8 1.15 Allowed Glycine 0 CA--C 1.532 1.147 0 CA-C-N 112.503 -2.135 . . . . 0.0 110.872 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -59.94 -33.89 95.47 Favored 'Trans proline' 0 C--N 1.328 -0.522 0 C-N-CA 123.08 2.52 . . . . 0.0 114.462 172.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -83.27 80.65 9.0 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 tp -125.62 -60.65 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 110.555 -3.021 . . . . 0.0 110.825 166.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.8 mtm105 -59.31 -44.43 92.55 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.588 0.755 . . . . 0.0 111.892 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -84.69 85.64 7.42 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 122.648 1.213 . . . . 0.0 108.639 164.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -37.04 108.7 0.41 Allowed Pre-proline 0 N--CA 1.468 0.433 0 CA-C-N 111.947 -2.388 . . . . 0.0 115.864 -176.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.05 70.13 7.21 Favored 'Trans proline' 0 C--N 1.324 -0.75 0 C-N-CA 123.434 2.756 . . . . 0.0 112.648 -178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -73.9 32.61 0.08 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.247 1.819 . . . . 0.0 114.606 175.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 t -107.18 12.24 28.56 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 112.908 -1.951 . . . . 0.0 114.731 -165.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' HA3' ' SG ' ' A' ' 33' ' ' CYS . . . -115.32 145.28 18.66 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 175.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -101.88 137.27 40.39 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.261 -0.969 . . . . 0.0 109.355 -175.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.9 109.75 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.644 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -112.93 141.23 47.0 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 112.282 -2.235 . . . . 0.0 108.396 -177.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.5 tp -83.72 137.78 33.6 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.153 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.22 -78.22 2.0 Allowed Glycine 0 N--CA 1.473 1.125 0 CA-C-N 114.037 -1.438 . . . . 0.0 113.735 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -151.64 148.35 27.84 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.852 0.861 . . . . 0.0 112.86 -174.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.0 m -62.23 100.21 0.16 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 113.779 -1.555 . . . . 0.0 109.813 168.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -98.23 -147.03 0.32 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 113.297 -1.774 . . . . 0.0 113.498 -167.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.89 104.8 0.21 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.302 1.041 . . . . 0.0 113.342 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.38 11.4 82.14 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 113.495 -1.684 . . . . 0.0 115.26 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.556 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 90.0 m95 -108.09 117.71 34.85 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.333 1.063 . . . . 0.0 109.966 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -92.81 139.34 30.64 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 113.465 -1.698 . . . . 0.0 109.546 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -58.08 123.69 16.78 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.391 1.091 . . . . 0.0 111.939 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' HA3' ' A' ' 19' ' ' GLY . 6.5 t -99.42 -65.36 0.97 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 112.743 -2.026 . . . . 0.0 108.709 173.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -138.83 128.23 24.38 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.523 1.129 . . . . 0.0 109.264 173.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.1 p -55.07 -39.07 68.85 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -175.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -128.77 140.33 51.77 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.198 0.599 . . . . 0.0 112.318 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -125.22 -76.91 0.59 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 113.58 -1.646 . . . . 0.0 110.532 166.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -139.95 120.19 13.85 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.393 1.077 . . . . 0.0 112.528 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.416 HG13 ' H ' ' A' ' 40' ' ' ILE 0.363 10.3 pt 40.12 -92.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 127.318 2.247 . . . . 0.0 115.993 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.416 ' H ' HG13 ' A' ' 39' ' ' ILE . 16.8 pt -100.0 25.53 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.3 132.14 50.34 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.359 1.463 . . . . 0.0 113.176 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -127.01 152.05 47.76 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 111.545 -2.57 . . . . 0.0 110.592 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 29.2 m -94.11 121.49 35.67 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.743 1.259 . . . . 0.0 110.669 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 30' ' ' TRP . 34.1 m -131.55 137.39 48.46 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 112.081 -2.327 . . . . 0.0 109.556 -175.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.7 ttp-105 -113.64 113.97 25.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.011 1.725 . . . . 0.0 108.617 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -77.04 120.36 22.03 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.445 -1.252 . . . . 0.0 112.843 -171.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -98.61 89.35 4.35 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.05 1.74 . . . . 0.0 110.812 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm . . . . . 0 C--O 1.258 1.529 0 CA-C-N 113.077 -1.874 . . . . 0.0 113.903 175.894 . . . . . . . . 0 0 . 1 stop_ save_