data_4c26_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 4c26 _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 ' 5' ' ' LYS . . . . . . . . . . . . . 64.4 tttm . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.155 0.503 . . . . 5.15 110.503 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.49 -18.6 63.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.813 -0.63 . . . . 2.5 111.351 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.3 mt -66.7 -31.43 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.333 0.587 . . . . 1.84 109.689 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 94.0 mtt180 -66.35 -35.36 80.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.72 -0.673 . . . . 4.93 110.002 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 56.1 ttp -63.72 -35.17 79.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.565 . . . . 3.14 110.362 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 58.4 tp -60.46 -34.24 73.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.545 -0.752 . . . . 1.21 110.175 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -75.08 -40.91 59.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.79 -0.641 . . . . 2.02 110.29 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 43.7 mt-10 -73.95 -21.72 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.709 -0.678 . . . . 1.67 111.726 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -72.25 -18.24 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.198 0.523 . . . . 1.34 110.529 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.1 9.81 17.25 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.427 -0.892 . . . . 0.62 112.626 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.562 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 58.6 m95 -73.96 133.35 43.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.593 -0.521 . . . . 0.85 109.593 176.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -117.09 140.62 49.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.014 0.435 . . . . 5.19 110.979 -175.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.3 tp -73.16 99.7 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.342 -0.844 . . . . 1.25 110.037 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.02 -16.32 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.856 0.36 . . . . 1.7 111.274 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.442 ' HB3' ' HB2' ' A' ' 26' ' ' HIS . 27.2 tpt180 -141.4 114.76 8.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.968 0.414 . . . . 5.04 110.044 177.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.71 134.93 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.623 -0.717 . . . . 2.39 110.459 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.632 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 95.1 m -143.49 154.19 43.38 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.21 -0.663 . . . . 2.2 109.21 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.2 -56.56 5.3 Favored Glycine 0 C--N 1.334 0.432 0 O-C-N 123.6 0.562 . . . . 1.77 113.668 -175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.556 ' O ' ' HA ' ' A' ' 39' ' ' PRO . 19.8 m -112.21 -34.23 5.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.967 0.383 . . . . 2.93 111.509 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.632 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -88.96 115.46 26.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.303 0.573 . . . . 1.43 112.319 -172.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 37' ' ' THR . 76.7 m80 -91.27 115.12 27.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.532 -0.758 . . . . 2.92 109.644 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.442 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 72.8 m80 -94.56 106.01 17.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.936 0.398 . . . . 4.01 110.075 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.541 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 77.9 m-85 -101.15 141.86 33.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.734 -0.667 . . . . 2.38 111.983 -175.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -131.42 137.02 48.47 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.526 -0.761 . . . . 2.44 109.348 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -105.63 119.17 53.48 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.682 -0.488 . . . . 1.79 109.682 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.11 68.25 1.9 Allowed 'Trans proline' 0 N--CA 1.478 0.57 0 C-N-CA 123.543 2.829 . . . . 1.67 113.029 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -177.67 -42.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.169 -0.678 . . . . 3.21 109.169 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.522 ' HB2' ' HZ3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -112.24 139.55 22.62 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.595 -0.73 . . . . 3.32 110.979 178.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.78 61.0 6.16 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.827 2.351 . . . . 2.18 112.21 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -129.24 139.84 11.27 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.853 -0.689 . . . . 1.27 111.931 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 27' ' ' PHE . 18.8 tp -119.28 118.03 30.16 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.752 -0.462 . . . . 2.0 109.752 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.5 t -105.46 124.28 60.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.865 0.364 . . . . 1.19 110.363 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.469 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 39.3 m -113.92 103.0 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.4 -0.364 . . . . 1.45 110.749 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.401 HG23 HD11 ' A' ' 53' ' ' ILE . 37.4 t -103.83 102.74 32.99 Favored Pre-proline 0 C--O 1.236 0.345 0 N-CA-C 111.938 0.347 . . . . 1.87 111.938 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.556 ' HA ' ' O ' ' A' ' 23' ' ' SER . 8.7 Cg_exo -73.6 111.53 3.31 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.855 2.37 . . . . 2.32 110.634 167.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.857 -0.611 . . . . 5.52 111.673 -173.211 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.401 HD11 HG23 ' A' ' 38' ' ' VAL . 28.6 mt . . . . . 0 C--O 1.227 -0.103 0 CA-C-O 120.872 0.367 . . . . 1.39 110.051 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -60.13 -22.49 62.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 3.21 111.846 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.87 -39.07 83.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.978 0.418 . . . . 3.77 109.897 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.515 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 15.5 m -86.7 -34.23 19.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.089 -0.505 . . . . 1.79 110.777 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -82.48 -30.04 30.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 1.24 112.058 -175.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 C-N-CA 120.626 -0.797 . . . . 1.75 113.115 -175.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.159 0.504 . . . . 5.15 111.742 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.7 mt -66.8 -39.59 87.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.548 -0.751 . . . . 2.5 110.806 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.4 mt -69.06 -38.01 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 1.84 109.757 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 79.0 ttt180 -59.08 -55.43 35.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 4.93 111.243 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.7 ptm -66.28 -25.74 67.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.194 0.521 . . . . 3.14 110.94 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.4 tp -75.55 -42.38 52.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.454 -0.794 . . . . 1.21 110.322 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.59 -37.8 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.67 -0.695 . . . . 2.02 110.728 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 48.8 mt-10 -72.42 -16.59 61.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 1.67 111.905 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -81.05 -13.65 58.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 1.34 110.382 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.25 24.21 8.57 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.508 -0.854 . . . . 0.62 113.551 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -83.26 172.63 12.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.954 0.377 . . . . 0.85 110.676 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -135.63 137.09 41.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.454 -0.339 . . . . 5.19 110.584 -177.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.442 ' CD1' ' HB2' ' A' ' 25' ' ' HIS . 54.1 tp -74.31 109.05 7.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.174 -0.466 . . . . 1.25 109.908 176.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 m -99.6 -24.96 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 112.454 0.539 . . . . 1.7 112.454 -174.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -161.73 124.22 2.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 5.04 111.334 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.4 t -99.91 104.58 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.276 -0.42 . . . . 2.39 110.007 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -100.11 97.62 8.43 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.801 -0.444 . . . . 2.2 109.801 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.29 -112.92 5.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.707 -0.758 . . . . 1.77 112.012 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -99.46 -9.01 23.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.164 0.507 . . . . 2.93 109.922 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.62 99.07 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.319 0.58 . . . . 1.43 110.884 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.552 ' NE2' ' HB ' ' A' ' 38' ' ' VAL . 9.6 p-80 -88.94 131.6 35.07 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.891 -0.595 . . . . 2.92 110.102 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 78.7 m80 -101.11 123.4 45.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.606 -0.725 . . . . 4.01 111.33 -174.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -101.12 135.04 43.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.692 -0.686 . . . . 2.38 110.355 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -153.69 149.37 27.45 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.911 -0.586 . . . . 2.44 109.711 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.473 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 13.7 t-80 -110.49 137.94 20.83 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.712 -0.848 . . . . 1.79 108.712 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.473 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 54.4 Cg_endo -68.83 56.31 1.0 Allowed 'Trans proline' 0 N--CA 1.476 0.477 0 C-N-CA 123.023 2.482 . . . . 1.67 112.927 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 tptp 179.97 -26.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.451 -0.795 . . . . 3.21 109.279 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -110.08 128.51 25.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.66 -0.7 . . . . 3.32 110.453 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -82.2 17.78 1.52 Allowed 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.829 2.353 . . . . 2.18 112.434 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.02 97.65 2.08 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.974 -0.631 . . . . 1.27 111.873 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 32.5 tp -89.9 106.12 18.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.997 0.427 . . . . 2.0 110.107 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.433 ' CG1' HG21 ' A' ' 53' ' ' ILE . 53.4 t -91.65 117.35 34.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.997 -0.547 . . . . 1.19 110.917 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.9 m -101.65 107.56 18.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.821 -0.627 . . . . 1.45 110.29 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.552 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 16.6 t -109.69 99.66 38.95 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.653 0.263 . . . . 1.87 110.522 177.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -91.43 151.27 3.61 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 123.47 2.78 . . . . 2.32 112.232 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.639 -0.255 . . . . 5.52 110.903 175.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.433 HG21 ' CG1' ' A' ' 36' ' ' VAL . 42.0 mt . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 110.347 -0.242 . . . . 1.39 110.347 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -52.24 -56.57 13.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 3.21 111.533 -175.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -62.0 -25.6 67.74 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.705 0.261 . . . . 3.77 111.705 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.4 m -86.56 -33.9 20.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.712 0.291 . . . . 1.79 111.09 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.25 0.33 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.109 0.481 . . . . 1.24 111.076 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.955 -0.641 . . . . 1.75 112.417 176.563 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.755 0.312 . . . . 5.15 111.34 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.84 -26.61 67.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.421 . . . . 2.5 110.758 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt -80.03 -25.81 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.186 -0.461 . . . . 1.84 110.482 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.98 -48.61 75.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.394 . . . . 4.93 110.693 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -68.25 -23.29 64.77 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.468 0.651 . . . . 3.14 110.342 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.3 tp -79.01 -51.9 8.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.125 -0.943 . . . . 1.21 110.973 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.09 -39.39 85.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.524 -0.762 . . . . 2.02 111.873 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.74 -16.43 64.13 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.734 0.642 . . . . 1.67 112.734 -173.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -75.95 -26.01 56.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.072 0.463 . . . . 1.34 110.206 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.51 3.6 7.17 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.573 -0.822 . . . . 0.62 112.533 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.513 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 93.7 m95 -70.86 134.17 47.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 0.85 110.387 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -117.97 149.41 40.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.032 -0.531 . . . . 5.19 109.884 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.413 ' CD2' HG23 ' A' ' 20' ' ' VAL . 54.6 tp -75.51 109.79 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.085 -0.507 . . . . 1.25 110.226 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 m -94.38 -38.39 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.459 -0.337 . . . . 1.7 111.428 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.467 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 5.1 mmp_? -120.68 113.35 20.08 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.753 0.311 . . . . 5.04 110.352 178.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.413 HG23 ' CD2' ' A' ' 17' ' ' LEU . 27.8 t -88.25 103.19 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.97 -0.559 . . . . 2.39 110.287 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 22.9 m -117.81 132.77 56.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.842 -0.617 . . . . 2.2 109.817 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.17 55.04 3.57 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.339 -0.458 . . . . 1.77 113.302 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 p -167.92 -55.05 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.144 -0.687 . . . . 2.93 109.144 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 39' ' ' PRO . . . -132.85 128.11 35.93 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.984 -1.007 . . . . 1.43 110.032 176.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -87.06 131.93 33.97 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.085 -0.507 . . . . 2.92 110.001 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.467 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 73.9 m80 -105.84 114.39 28.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 4.01 109.974 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.5 m-85 -102.68 142.79 33.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.646 -0.706 . . . . 2.38 111.381 -177.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -157.11 134.95 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.519 -0.764 . . . . 2.44 110.083 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.479 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 16.2 t-80 -111.06 129.46 23.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.213 -0.662 . . . . 1.79 109.213 174.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 98.1 Cg_endo -71.37 51.9 1.48 Allowed 'Trans proline' 0 N--CA 1.481 0.764 0 C-N-CA 123.675 2.917 . . . . 1.67 113.73 -175.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -161.22 -41.0 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.361 -0.381 . . . . 3.21 110.126 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -107.99 127.52 27.48 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.378 -0.374 . . . . 3.32 110.378 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.78 138.47 37.81 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.734 2.289 . . . . 2.18 112.575 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.26 141.71 3.8 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.821 -0.705 . . . . 1.27 111.906 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.2 tp -119.16 114.4 22.39 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.7 -0.482 . . . . 2.0 109.7 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.405 HG11 HG21 ' A' ' 53' ' ' ILE . 42.0 t -95.2 122.18 46.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.053 -0.521 . . . . 1.19 110.718 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.4 m -111.01 100.03 8.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.944 -0.571 . . . . 1.45 110.36 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.7 m -103.88 109.3 62.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 121.132 0.492 . . . . 1.87 110.898 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 83.6 Cg_endo -85.15 148.81 10.51 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.952 2.435 . . . . 2.32 112.682 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.2 m170 . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 115.792 -0.64 . . . . 5.52 109.921 175.091 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.405 HG21 HG11 ' A' ' 36' ' ' VAL . 44.2 mt . . . . . 0 CA--C 1.519 -0.215 0 N-CA-C 109.399 -0.593 . . . . 1.39 109.399 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.17 -36.43 79.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.58 -0.736 . . . . 3.21 111.103 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HZ2' ' HB2' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -72.71 -30.45 64.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.367 -0.378 . . . . 3.77 111.235 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -86.24 -41.4 14.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.974 0.416 . . . . 1.79 110.949 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.513 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -82.29 -31.4 30.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.993 -0.549 . . . . 1.24 112.243 -174.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.268 -0.967 . . . . 1.75 113.04 -176.184 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.654 0.264 . . . . 5.15 110.78 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.57 -49.69 75.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 2.5 110.701 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.3 mm -70.34 -36.66 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 1.84 110.055 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.547 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 32.8 tpt180 -61.93 -49.71 75.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.072 -0.513 . . . . 4.93 110.744 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 tpt -57.42 -44.92 85.04 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.344 0.593 . . . . 3.14 110.549 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.79 -35.05 78.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.969 -1.014 . . . . 1.21 110.379 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -71.76 -41.88 67.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.237 -0.892 . . . . 2.02 110.9 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 41.8 mt-10 -67.39 -33.89 76.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.912 -0.585 . . . . 1.67 112.164 -175.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.73 -22.37 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 1.34 110.582 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.48 25.35 2.93 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.3 -0.952 . . . . 0.62 113.343 175.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 68.0 m95 -100.08 139.41 35.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.959 0.379 . . . . 0.85 110.661 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -127.37 157.93 38.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.172 -0.467 . . . . 5.19 109.995 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 25' ' ' HIS . 57.8 tp -70.98 125.34 26.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.692 -0.685 . . . . 1.25 111.046 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.4 m -113.76 -36.57 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.768 0.285 . . . . 1.7 111.768 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -143.17 141.95 31.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 5.04 110.89 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.1 t -121.32 125.75 74.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.403 -0.362 . . . . 2.39 110.601 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.1 p -125.14 100.88 6.75 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.753 -0.462 . . . . 2.2 109.753 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.24 -112.99 5.44 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.137 -0.554 . . . . 1.77 112.012 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 m -106.09 -0.12 25.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.038 0.447 . . . . 2.93 110.375 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.53 120.25 36.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.995 -0.548 . . . . 1.43 110.377 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.415 ' HB3' HD11 ' A' ' 17' ' ' LEU . 12.1 m170 -100.05 127.37 46.28 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.899 -0.591 . . . . 2.92 110.244 -177.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.518 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 71.5 m-70 -99.42 121.74 41.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.101 0.477 . . . . 4.01 110.107 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 25.0 m-85 -108.25 144.22 36.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.394 -0.821 . . . . 2.38 110.055 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -157.66 125.09 5.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.55 0.691 . . . . 2.44 111.62 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -112.41 112.05 51.99 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 114.761 -1.108 . . . . 1.79 108.649 176.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.16 -11.58 13.34 Favored 'Trans proline' 0 N--CA 1.478 0.597 0 C-N-CA 123.282 2.655 . . . . 1.67 114.609 -171.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -85.79 -30.71 22.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 3.21 110.214 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -110.6 120.02 44.95 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 3.32 110.114 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.24 84.69 0.45 Allowed 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.702 2.268 . . . . 2.18 112.891 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.44 147.26 13.53 Favored Glycine 0 N--CA 1.439 -1.129 0 C-N-CA 120.247 -0.978 . . . . 1.27 112.43 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.0 tp -122.54 114.66 20.97 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.356 -0.609 . . . . 2.0 109.356 172.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 26' ' ' HIS . 40.9 t -100.97 135.71 35.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.114 -0.494 . . . . 1.19 110.945 -177.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.8 m -124.12 99.08 6.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.251 -0.431 . . . . 1.45 109.867 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.409 HG13 HD11 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -99.67 112.93 64.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.526 . . . . 1.87 111.549 -179.368 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -88.35 149.84 6.56 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.15 2.567 . . . . 2.32 111.715 174.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 116.336 -0.393 . . . . 5.52 110.321 178.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 53' ' ' ILE . 57.1 mt . . . . . 0 CA--C 1.519 -0.247 0 N-CA-C 109.982 -0.377 . . . . 1.39 109.982 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -59.42 -36.48 75.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 3.21 111.132 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -59.79 -48.13 82.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.969 -0.559 . . . . 3.77 110.623 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -79.74 -46.53 16.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.087 -0.506 . . . . 1.79 111.656 -175.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.57 -28.74 65.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.906 0.384 . . . . 1.24 111.357 -177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 C-N-CA 120.731 -0.747 . . . . 1.75 112.508 -179.371 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.4 tmtt? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.757 0.313 . . . . 5.15 110.785 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.51 -37.73 68.28 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.972 -0.381 . . . . 2.5 109.972 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.45 -36.56 75.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 1.84 109.79 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 55.6 ttp180 -59.62 -48.59 81.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.522 -0.763 . . . . 4.93 110.572 177.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 59.7 mtp -61.35 -49.17 78.03 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.285 0.564 . . . . 3.14 109.797 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.0 tp -52.27 -32.86 39.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.554 -1.203 . . . . 1.21 110.847 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -80.61 -53.35 6.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.054 -0.521 . . . . 2.02 110.849 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 10.6 pt-20 -72.84 -13.32 61.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.387 -0.37 . . . . 1.67 111.568 -176.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.23 -24.4 67.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.106 0.479 . . . . 1.34 110.068 175.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.1 -8.01 7.61 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.646 -0.788 . . . . 0.62 112.901 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.533 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 84.7 m95 -65.07 135.78 55.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.958 0.408 . . . . 0.85 109.986 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -109.28 142.92 39.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.331 -0.395 . . . . 5.19 110.553 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.47 HD12 ' HB ' ' A' ' 20' ' ' VAL . 43.3 tp -74.25 99.38 3.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.746 -0.464 . . . . 1.25 109.746 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 m -93.98 -33.39 5.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.251 -0.431 . . . . 1.7 111.045 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -141.84 137.27 31.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.405 -0.361 . . . . 5.04 110.069 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.47 ' HB ' HD12 ' A' ' 17' ' ' LEU . 1.4 p -140.12 106.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.471 0.653 . . . . 2.39 110.421 177.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 p -111.92 98.79 7.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.718 -0.674 . . . . 2.2 110.726 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.49 -126.6 19.09 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.815 -0.707 . . . . 1.77 111.975 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -82.73 -32.78 27.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.928 0.394 . . . . 2.93 110.641 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.9 117.93 23.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.155 -0.475 . . . . 1.43 110.7 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 37' ' ' THR . 10.9 p-80 -123.72 135.71 54.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.134 -0.485 . . . . 2.92 111.394 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.606 ' NE2' HD13 ' A' ' 35' ' ' LEU . 2.2 t-160 -97.14 125.15 41.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.531 -0.759 . . . . 4.01 111.428 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.516 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 42.4 m-85 -100.76 134.93 43.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.761 -1.109 . . . . 2.38 109.88 174.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.603 ' HB2' ' NE2' ' A' ' 26' ' ' HIS . 85.9 tttt -148.38 133.27 18.06 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.304 -0.407 . . . . 2.44 110.03 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.462 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 18.6 t-80 -109.79 127.6 26.85 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.571 -0.9 . . . . 1.79 108.571 176.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.462 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 56.8 Cg_endo -67.27 58.09 0.64 Allowed 'Trans proline' 0 N--CA 1.481 0.766 0 C-N-CA 123.505 2.803 . . . . 1.67 113.416 -176.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -176.2 -28.03 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.428 -0.805 . . . . 3.21 108.984 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -101.23 120.18 55.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 3.32 110.325 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -76.6 111.9 3.34 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.046 1.831 . . . . 2.18 111.273 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.24 145.53 4.97 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.073 -1.06 . . . . 1.27 112.668 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.606 HD13 ' NE2' ' A' ' 26' ' ' HIS . 9.1 tp -111.2 99.12 8.01 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.953 -0.388 . . . . 2.0 109.953 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 68.8 t -98.3 99.3 8.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.82 -0.437 . . . . 1.19 109.82 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 28.1 m -111.07 102.99 11.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.216 -0.447 . . . . 1.45 109.962 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.2 t -103.04 114.49 65.16 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.217 -0.447 . . . . 1.87 110.937 -175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -89.61 150.07 5.17 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.056 2.504 . . . . 2.32 111.856 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.7 p80 . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.389 0.614 . . . . 5.52 110.714 177.915 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 mt . . . . . 0 CA--C 1.522 -0.113 0 N-CA-C 109.964 -0.384 . . . . 1.39 109.964 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -56.82 -43.22 80.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 3.21 110.702 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.78 -44.81 88.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.918 -0.583 . . . . 3.77 111.053 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 t -69.75 -38.07 76.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.432 . . . . 1.79 111.059 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.533 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -80.78 -30.6 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.856 0.36 . . . . 1.24 111.611 -177.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.847 -0.692 . . . . 1.75 112.195 179.584 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.482 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 46.9 pttt . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 112.046 0.387 . . . . 5.15 112.046 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.482 ' H ' ' HG3' ' A' ' 5' ' ' LYS . 89.9 mt -78.46 -36.48 45.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.661 0.267 . . . . 2.5 110.489 -178.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mt -58.69 -37.53 66.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.98 -0.554 . . . . 1.84 110.712 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.455 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 6.6 tpm_? -56.48 -56.28 23.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.61 -0.723 . . . . 4.93 111.011 178.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.476 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 21.5 ptt? -69.83 -31.58 69.53 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.986 -0.376 . . . . 3.14 109.986 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.47 -51.71 66.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.774 -0.648 . . . . 1.21 111.168 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.43 -38.39 90.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.859 -0.61 . . . . 2.02 112.136 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 12.4 pt-20 -90.65 -6.51 54.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.877 0.325 . . . . 1.67 111.877 -175.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 9' ' ' MET . 16.5 t70 -80.61 -25.43 38.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.018 0.437 . . . . 1.34 109.987 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.9 0.99 7.61 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.526 -0.845 . . . . 0.62 113.278 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.402 ' HZ3' ' O ' ' A' ' 34' ' ' GLY . 69.5 m95 -75.24 134.03 41.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.068 0.434 . . . . 0.85 110.159 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -110.75 145.52 37.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.261 -0.427 . . . . 5.19 110.591 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.59 104.83 5.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.207 -0.664 . . . . 1.25 109.207 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.24 -19.26 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.351 -0.386 . . . . 1.7 111.411 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -147.18 124.3 11.44 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.96 -0.385 . . . . 5.04 109.96 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -87.11 98.65 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.919 -0.582 . . . . 2.39 110.036 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.683 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 5.5 m -114.04 118.04 32.97 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.302 -0.863 . . . . 2.2 109.306 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.5 84.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.217 -0.516 . . . . 1.77 112.387 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -63.27 -49.58 73.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.913 0.387 . . . . 2.93 110.142 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.683 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -156.75 122.43 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.838 -0.619 . . . . 1.43 110.154 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -69.6 133.07 47.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.257 -0.429 . . . . 2.92 110.607 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -106.57 106.98 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 4.01 110.947 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -101.6 149.68 23.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.577 -0.738 . . . . 2.38 110.833 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -151.57 141.29 21.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.781 -0.645 . . . . 2.44 109.898 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.459 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 29.1 t-80 -90.53 128.77 47.48 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.958 -0.756 . . . . 1.79 108.958 176.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.459 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 62.0 Cg_endo -67.98 61.42 0.96 Allowed 'Trans proline' 0 N--CA 1.478 0.599 0 C-N-CA 123.419 2.746 . . . . 1.67 113.296 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -175.36 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.495 -0.557 . . . . 3.21 109.495 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -108.31 133.71 20.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.71 -0.677 . . . . 3.32 110.654 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.22 51.51 2.88 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 123.198 2.598 . . . . 2.18 112.562 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.402 ' O ' ' HZ3' ' A' ' 15' ' ' TRP . . . -103.9 129.33 9.82 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.978 -0.849 . . . . 1.27 110.978 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 tp -111.59 111.87 23.18 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.853 0.359 . . . . 2.0 110.67 -177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 t -91.83 127.44 44.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.974 -0.557 . . . . 1.19 110.04 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -112.62 101.34 9.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.167 -0.47 . . . . 1.45 110.438 -177.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t -99.74 122.55 50.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.326 -0.397 . . . . 1.87 111.911 -173.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.57 149.87 44.68 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.749 2.299 . . . . 2.32 111.819 175.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.274 -0.421 . . . . 5.52 111.208 -176.78 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 53' ' ' ILE . 28.1 mt . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 109.045 -0.724 . . . . 1.39 109.045 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -60.08 -31.74 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.509 -0.769 . . . . 3.21 110.476 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -66.0 -59.46 3.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 3.77 111.113 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 m -76.61 -48.92 17.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.23 0.455 . . . . 1.79 112.23 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.37 -24.42 34.49 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.764 0.283 . . . . 1.24 111.764 -174.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.566 -0.826 . . . . 1.75 112.804 -176.761 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 120.741 0.305 . . . . 5.15 111.382 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.3 -18.61 64.76 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.324 0.49 . . . . 2.5 112.324 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.9 mt -55.12 -32.32 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 1.84 111.117 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 26.1 mmm180 -64.07 -44.5 92.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.361 -0.382 . . . . 4.93 111.131 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.1 tpt -64.3 -38.6 91.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.999 0.428 . . . . 3.14 110.638 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.7 tp -64.86 -29.03 69.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.669 -0.696 . . . . 1.21 110.205 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -73.75 -45.91 49.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.415 -0.811 . . . . 2.02 109.904 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 36.3 mt-10 -70.48 -23.75 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.686 -0.688 . . . . 1.67 111.346 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.68 -26.28 61.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.397 -0.365 . . . . 1.34 110.578 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.51 22.63 5.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.421 -0.895 . . . . 0.62 113.676 174.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.628 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 52.2 m95 -90.76 131.0 36.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.12 0.46 . . . . 0.85 110.42 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -110.25 147.18 34.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.871 -0.604 . . . . 5.19 110.525 -172.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.8 tp -70.77 99.41 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 1.25 110.32 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 m -94.68 -24.04 4.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.825 -0.625 . . . . 1.7 111.738 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -150.5 131.95 14.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.04 0.448 . . . . 5.04 111.066 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -100.05 149.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.895 -0.593 . . . . 2.39 110.785 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 4.2 m -136.3 159.73 40.85 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.605 -0.887 . . . . 2.2 108.605 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.07 -51.88 7.15 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 114.474 0.55 . . . . 1.77 114.474 -174.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -107.1 -45.52 4.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 117.303 0.551 . . . . 2.93 111.299 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.497 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -109.45 163.53 13.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.844 0.354 . . . . 1.43 111.139 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -120.52 143.99 48.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.589 -0.278 . . . . 2.92 110.685 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.516 ' NE2' HD13 ' A' ' 35' ' ' LEU . 7.4 t-80 -98.89 130.98 45.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.447 0.642 . . . . 4.01 111.45 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -110.9 140.82 45.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.909 -1.041 . . . . 2.38 110.381 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -149.16 136.71 20.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.147 0.499 . . . . 2.44 110.503 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 17.2 t-80 -106.1 131.54 21.64 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 107.975 -1.12 . . . . 1.79 107.975 175.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 59.1 Cg_endo -67.61 36.53 0.16 Allowed 'Trans proline' 0 N--CA 1.483 0.869 0 C-N-CA 123.471 2.781 . . . . 1.67 113.995 -175.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 29' ' ' HIS . 72.8 mmtt -140.77 -38.9 0.42 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.787 -0.82 . . . . 3.21 108.787 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -111.05 111.14 56.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.251 -0.886 . . . . 3.32 110.086 176.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.79 50.07 2.65 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.97 2.447 . . . . 2.18 112.804 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.49 148.86 18.46 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.934 -0.651 . . . . 1.27 111.868 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.516 HD13 ' NE2' ' A' ' 26' ' ' HIS . 2.7 tp -101.75 98.74 8.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.021 0.439 . . . . 2.0 109.95 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 26' ' ' HIS . 42.0 t -90.69 117.25 33.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.065 -0.516 . . . . 1.19 109.657 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 m -112.18 103.95 12.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.326 -0.397 . . . . 1.45 110.124 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.7 t -104.17 119.51 53.9 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 1.87 111.975 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.07 154.34 25.44 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 123.761 2.974 . . . . 2.32 111.318 171.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.2 m80 . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 108.593 -0.892 . . . . 5.52 108.593 -178.078 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--O 1.224 -0.246 0 N-CA-C 109.702 -0.481 . . . . 1.39 109.702 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -67.1 -23.15 65.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.954 -0.566 . . . . 3.21 111.434 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -81.21 -50.95 8.95 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.759 -0.459 . . . . 3.77 109.759 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.9 t -58.91 -43.08 91.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.03 -0.532 . . . . 1.79 110.058 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.628 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -93.33 21.62 5.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.759 -0.655 . . . . 1.24 110.839 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.684 0 C-N-CA 120.663 -0.779 . . . . 1.75 112.848 -178.721 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 5' ' ' LYS . 28.6 mmtp . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.698 0.285 . . . . 5.15 111.286 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.15 -32.95 71.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.488 -0.56 . . . . 2.5 109.488 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mt -64.15 -34.7 70.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.302 -0.863 . . . . 1.84 111.017 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.426 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -65.67 -47.62 74.88 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.339 -0.615 . . . . 4.93 109.339 178.196 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.9 tpt -57.51 -48.02 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.813 -0.631 . . . . 3.14 110.422 175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.04 -40.89 67.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.023 -0.989 . . . . 1.21 111.064 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -72.54 -44.76 61.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.864 -0.607 . . . . 2.02 111.035 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.0 pt-20 -75.24 -17.99 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.471 -0.331 . . . . 1.67 111.692 -176.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.6 -18.23 61.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.956 0.408 . . . . 1.34 110.512 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.46 -5.41 8.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.508 -0.853 . . . . 0.62 113.348 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -72.47 146.45 46.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.991 0.424 . . . . 0.85 110.919 -177.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.43 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 3.8 mmp_? -114.78 139.11 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.127 -0.488 . . . . 5.19 110.946 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.411 HD22 HG13 ' A' ' 20' ' ' VAL . 54.6 tp -73.09 96.65 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.164 -0.68 . . . . 1.25 109.164 173.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.4 m -98.48 -20.87 5.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.961 -0.563 . . . . 1.7 112.046 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -143.35 119.6 10.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.859 0.362 . . . . 5.04 110.573 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.411 HG13 HD22 ' A' ' 17' ' ' LEU . 33.9 m -94.98 146.25 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.991 -0.55 . . . . 2.39 110.961 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 8.3 m -149.95 158.61 44.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.125 -1.065 . . . . 2.2 108.125 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.43 -66.24 2.51 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 121.356 -0.45 . . . . 1.77 114.065 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 p -87.48 -37.41 16.98 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.353 0.501 . . . . 2.93 112.353 -174.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.629 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -121.61 151.69 40.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 1.43 111.815 -174.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -122.13 132.7 54.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.111 -0.495 . . . . 2.92 110.07 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.63 ' NE2' HD13 ' A' ' 35' ' ' LEU . 7.2 t-80 -94.5 126.68 39.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.511 0.672 . . . . 4.01 111.122 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -110.48 141.89 42.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.757 -1.11 . . . . 2.38 110.042 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -151.32 143.1 23.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.809 -0.632 . . . . 2.44 109.33 -178.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.522 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 8.0 t-80 -102.42 129.31 26.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.228 -0.656 . . . . 1.79 109.228 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.522 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 73.0 Cg_endo -70.46 50.98 1.06 Allowed 'Trans proline' 0 N--CA 1.478 0.564 0 C-N-CA 123.471 2.781 . . . . 1.67 113.564 -176.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -166.58 -47.85 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.204 0.526 . . . . 3.21 109.749 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB2' ' HZ3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -107.75 132.99 20.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.638 -0.71 . . . . 3.32 109.74 177.208 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -74.0 155.08 47.98 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.481 2.12 . . . . 2.18 111.856 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.22 129.33 1.3 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.773 -0.727 . . . . 1.27 111.911 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.63 HD13 ' NE2' ' A' ' 26' ' ' HIS . 3.8 tp -99.54 98.5 9.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.877 0.37 . . . . 2.0 110.142 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 26' ' ' HIS . 38.6 t -91.38 99.66 10.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.285 -0.635 . . . . 1.19 109.285 173.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.548 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 21.2 m -105.37 99.92 9.51 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.923 -0.58 . . . . 1.45 109.887 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.4 t -95.28 106.72 27.88 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 116.11 -0.495 . . . . 1.87 111.312 -175.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.548 ' HD3' ' O ' ' A' ' 37' ' ' THR . 1.4 Cg_endo -84.16 134.23 5.91 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.957 2.438 . . . . 2.32 111.771 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.2 m80 . . . . . 0 C--N 1.319 -0.751 0 CA-C-N 116.063 -0.517 . . . . 5.52 110.336 178.789 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.433 HG21 HG11 ' A' ' 36' ' ' VAL . 42.8 mt . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 121.003 0.43 . . . . 1.39 110.315 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -61.72 -24.01 66.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.559 -0.746 . . . . 3.21 111.301 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -86.73 -52.8 5.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.549 -0.751 . . . . 3.77 111.05 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.9 m -62.1 -39.84 93.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 1.79 110.709 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.34 20.99 12.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.949 -0.569 . . . . 1.24 110.562 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.743 0 C-N-CA 121.052 -0.594 . . . . 1.75 111.894 179.373 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 33.9 mmtp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.973 -0.38 . . . . 5.15 109.973 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.09 -23.04 41.56 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.71 -0.478 . . . . 2.5 109.71 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.34 -23.91 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.607 -0.724 . . . . 1.84 109.414 173.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 20.3 tpt180 -69.61 -45.72 67.92 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.645 -0.707 . . . . 4.93 110.029 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.401 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.0 ttp -60.31 -42.42 95.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.16 0.505 . . . . 3.14 109.881 176.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 tp -54.15 -42.63 69.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.148 -0.933 . . . . 1.21 110.883 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -72.56 -48.27 41.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.223 -0.444 . . . . 2.02 110.899 -175.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HG2' ' HA ' ' A' ' 9' ' ' MET . 12.9 pt-20 -72.98 -6.02 42.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.401 . . . . 1.67 111.481 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -73.84 -15.27 61.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.518 0.675 . . . . 1.34 109.754 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.27 23.89 2.82 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.745 -0.741 . . . . 0.62 112.484 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -102.05 165.67 11.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.915 0.388 . . . . 0.85 111.312 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -136.86 137.63 39.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.958 -0.564 . . . . 5.19 110.089 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.1 tp -76.23 106.53 7.9 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.519 -0.548 . . . . 1.25 109.519 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 m -94.5 -37.27 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 111.821 0.304 . . . . 1.7 111.821 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -143.73 151.46 40.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 5.04 110.662 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.7 t -131.64 124.56 54.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.129 -0.487 . . . . 2.39 110.522 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 24' ' ' ALA . 32.0 p -119.89 99.42 6.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.859 0.361 . . . . 2.2 110.243 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.36 -101.04 0.71 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.588 -0.815 . . . . 1.77 111.498 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -120.41 11.45 11.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.366 0.603 . . . . 2.93 109.66 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.428 ' HB2' ' OG1' ' A' ' 21' ' ' THR . . . -90.52 113.23 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.829 -0.623 . . . . 1.43 111.01 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.437 ' O ' ' HA ' ' A' ' 37' ' ' THR . 7.9 m-70 -84.25 114.81 22.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.644 -0.707 . . . . 2.92 109.464 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -99.44 109.48 22.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.743 0.306 . . . . 4.01 110.215 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -100.82 138.32 38.03 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.108 -0.496 . . . . 2.38 111.244 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -157.02 117.82 3.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.781 -0.645 . . . . 2.44 110.947 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.418 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 14.4 t-80 -113.02 129.23 24.71 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 115.697 -0.683 . . . . 1.79 109.522 173.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 56.9 Cg_endo -67.12 68.28 0.6 Allowed 'Trans proline' 0 N--CA 1.479 0.659 0 C-N-CA 123.352 2.701 . . . . 1.67 112.337 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.0 tttp 177.41 -25.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.691 -1.14 . . . . 3.21 108.123 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 29.9 mmtp -98.25 174.18 3.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 114.758 -1.11 . . . . 3.32 110.233 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 32' ' ' LYS . 50.7 Cg_exo -59.41 -147.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.288 2.659 . . . . 2.18 114.176 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.72 -155.49 3.67 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.874 -0.603 . . . . 1.27 113.496 -176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 mp -87.68 125.87 34.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.981 0.42 . . . . 2.0 111.306 -176.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -90.84 110.52 22.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.262 -0.644 . . . . 1.19 109.262 172.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 28.9 m -106.16 108.45 19.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.215 -0.448 . . . . 1.45 110.626 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.1 t -113.14 97.59 43.11 Favored Pre-proline 0 C--N 1.324 -0.52 0 C-N-CA 121.032 -0.267 . . . . 1.87 110.735 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -97.9 96.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.172 2.581 . . . . 2.32 111.375 170.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 116.407 -0.36 . . . . 5.52 110.992 -178.687 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.1 mt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.633 -0.506 . . . . 1.39 109.633 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.553 ' HA ' HE21 ' A' ' 54' ' ' GLN . 0.0 OUTLIER -62.13 -14.04 33.06 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.715 -0.675 . . . . 3.21 111.796 -177.641 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -57.46 -53.11 61.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.496 -0.557 . . . . 3.77 109.496 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.6 m -91.55 -38.91 12.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 1.79 110.883 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.76 15.29 11.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.871 -0.604 . . . . 1.24 111.871 -174.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.876 0 C-N-CA 120.481 -0.866 . . . . 1.75 111.68 179.593 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 121.132 0.491 . . . . 5.15 111.347 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.21 -43.05 92.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.328 -0.851 . . . . 2.5 111.151 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.3 mt -69.98 -41.27 79.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.029 -0.532 . . . . 1.84 110.735 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 58.6 mtp180 -65.45 -43.43 90.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.444 -0.344 . . . . 4.93 110.769 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 37.2 ttm -56.57 -46.87 80.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 3.14 110.469 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.95 -37.2 83.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.842 -1.072 . . . . 1.21 110.688 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.13 -58.66 7.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.346 -0.843 . . . . 2.02 111.036 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.1 pt-20 -70.32 -11.69 61.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 1.67 111.95 -173.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -75.73 -24.88 56.19 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.81 -0.441 . . . . 1.34 109.81 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.6 5.98 10.77 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.742 . . . . 0.62 113.643 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -79.27 141.33 37.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.202 0.501 . . . . 0.85 111.332 -177.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -113.19 151.0 31.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.783 -0.644 . . . . 5.19 110.091 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.72 108.76 4.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.332 -0.618 . . . . 1.25 109.332 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.98 -28.78 4.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.029 -0.532 . . . . 1.7 110.997 -170.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.493 ' HB3' ' HB2' ' A' ' 26' ' ' HIS . 30.8 ttm180 -138.7 118.64 13.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.758 -0.46 . . . . 5.04 109.758 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -87.2 123.99 40.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.762 -0.653 . . . . 2.39 110.323 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.607 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 26.1 m -149.99 128.27 12.09 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.649 -0.705 . . . . 2.2 109.325 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.14 -20.09 72.68 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.108 -0.568 . . . . 1.77 112.719 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.419 ' H ' HG23 ' A' ' 21' ' ' THR . 16.3 m -82.32 -33.65 28.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.731 0.301 . . . . 2.93 111.125 178.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.607 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -162.08 133.7 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.364 -0.38 . . . . 1.43 110.124 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -91.94 118.23 30.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.863 0.363 . . . . 2.92 110.03 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 90.0 m-70 -101.24 115.03 29.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 4.01 111.146 -174.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -101.1 147.54 26.11 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.663 -0.699 . . . . 2.38 110.485 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -152.0 135.67 16.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.0 0.428 . . . . 2.44 110.925 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -109.09 100.65 41.48 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.121 -1.066 . . . . 1.79 108.121 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.59 -13.11 7.35 Favored 'Trans proline' 0 N--CA 1.481 0.739 0 C-N-CA 123.645 2.897 . . . . 1.67 114.844 -169.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -78.26 -27.76 47.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.328 0.585 . . . . 3.21 109.484 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -111.37 143.24 28.06 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.471 -0.786 . . . . 3.32 110.508 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.22 60.18 7.7 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.397 2.065 . . . . 2.18 112.117 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.88 137.15 7.52 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.437 -0.887 . . . . 1.27 112.673 -177.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 tt -122.38 129.14 51.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.501 -0.555 . . . . 2.0 109.501 175.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.8 t -103.39 129.06 55.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.135 -0.484 . . . . 1.19 110.938 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.6 m -105.07 103.32 12.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.535 -0.302 . . . . 1.45 110.321 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.448 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 92.8 t -86.01 132.23 44.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 1.87 110.335 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 11.3 Cg_exo -71.86 148.45 51.93 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.503 2.136 . . . . 2.32 111.485 176.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.851 -0.613 . . . . 5.52 110.064 -175.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.8 mt . . . . . 0 C--O 1.224 -0.269 0 N-CA-C 109.567 -0.531 . . . . 1.39 109.567 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -58.1 -36.0 72.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 3.21 110.684 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HZ2' ' HB3' ' A' ' 55' ' ' LYS . 9.2 mtpm? -76.26 -52.19 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 3.77 111.864 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 m -74.02 -38.61 64.0 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.292 0.478 . . . . 1.79 112.292 -173.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.7 -27.93 19.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.913 0.387 . . . . 1.24 111.048 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 1.75 112.299 -179.472 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 121.137 0.494 . . . . 20.6 110.769 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -113.85 -169.33 1.49 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.223 -0.658 . . . . 19.8 109.223 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 9.2 t -129.21 26.88 5.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.559 0.695 . . . . 19.22 110.14 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -157.75 127.09 1.84 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.514 -0.766 . . . . 16.43 111.876 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 17.8 m 64.11 28.78 14.2 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 122.987 0.515 . . . . 14.72 111.669 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -77.26 81.62 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.264 0.554 . . . . 12.81 110.808 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' LEU . . . . . 0.533 ' O ' ' HD2' ' A' ' 39' ' ' PRO . 10.8 mp -95.44 1.22 54.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.89 -0.596 . . . . 12.32 110.297 176.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -65.7 128.79 37.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.731 -0.668 . . . . 10.64 110.61 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.536 ' OD1' ' HB ' ' A' ' 49' ' ' THR . 42.6 m-80 -142.88 150.55 39.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.222 -0.444 . . . . 8.02 110.884 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -148.99 102.12 3.23 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.868 -0.79 . . . . 3.95 108.868 176.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 t -158.47 159.14 35.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.027 -0.533 . . . . 3.66 110.553 -173.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -66.67 -22.18 66.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.336 -0.847 . . . . 5.15 110.503 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.49 -18.6 63.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.813 -0.63 . . . . 2.5 111.351 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.3 mt -66.7 -31.43 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.333 0.587 . . . . 1.84 109.689 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 94.0 mtt180 -66.35 -35.36 80.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.72 -0.673 . . . . 4.93 110.002 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 56.1 ttp -63.72 -35.17 79.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.565 . . . . 3.14 110.362 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 58.4 tp -60.46 -34.24 73.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.545 -0.752 . . . . 1.21 110.175 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -75.08 -40.91 59.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.79 -0.641 . . . . 2.02 110.29 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 43.7 mt-10 -73.95 -21.72 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.709 -0.678 . . . . 1.67 111.726 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -72.25 -18.24 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.198 0.523 . . . . 1.34 110.529 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.1 9.81 17.25 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.427 -0.892 . . . . 0.62 112.626 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.562 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 58.6 m95 -73.96 133.35 43.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.593 -0.521 . . . . 0.85 109.593 176.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -117.09 140.62 49.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.014 0.435 . . . . 5.19 110.979 -175.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.3 tp -73.16 99.7 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.342 -0.844 . . . . 1.25 110.037 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.02 -16.32 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.856 0.36 . . . . 1.7 111.274 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.442 ' HB3' ' HB2' ' A' ' 26' ' ' HIS . 27.2 tpt180 -141.4 114.76 8.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.968 0.414 . . . . 5.04 110.044 177.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.71 134.93 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.623 -0.717 . . . . 2.39 110.459 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.632 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 95.1 m -143.49 154.19 43.38 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.21 -0.663 . . . . 2.2 109.21 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.2 -56.56 5.3 Favored Glycine 0 C--N 1.334 0.432 0 O-C-N 123.6 0.562 . . . . 1.77 113.668 -175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.556 ' O ' ' HA ' ' A' ' 39' ' ' PRO . 19.8 m -112.21 -34.23 5.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.967 0.383 . . . . 2.93 111.509 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.632 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -88.96 115.46 26.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.303 0.573 . . . . 1.43 112.319 -172.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 37' ' ' THR . 76.7 m80 -91.27 115.12 27.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.532 -0.758 . . . . 2.92 109.644 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.442 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 72.8 m80 -94.56 106.01 17.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.936 0.398 . . . . 4.01 110.075 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.541 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 77.9 m-85 -101.15 141.86 33.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.734 -0.667 . . . . 2.38 111.983 -175.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -131.42 137.02 48.47 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.526 -0.761 . . . . 2.44 109.348 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -105.63 119.17 53.48 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.682 -0.488 . . . . 1.79 109.682 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.11 68.25 1.9 Allowed 'Trans proline' 0 N--CA 1.478 0.57 0 C-N-CA 123.543 2.829 . . . . 1.67 113.029 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -177.67 -42.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.169 -0.678 . . . . 3.21 109.169 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.522 ' HZ3' ' HB2' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -112.24 139.55 22.62 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.595 -0.73 . . . . 3.32 110.979 178.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.78 61.0 6.16 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.827 2.351 . . . . 2.18 112.21 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -129.24 139.84 11.27 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.853 -0.689 . . . . 1.27 111.931 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 27' ' ' PHE . 18.8 tp -119.28 118.03 30.16 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.752 -0.462 . . . . 2.0 109.752 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.5 t -105.46 124.28 60.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.865 0.364 . . . . 1.19 110.363 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.469 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 39.3 m -113.92 103.0 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.4 -0.364 . . . . 1.45 110.749 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.401 HG23 HD11 ' A' ' 53' ' ' ILE . 37.4 t -103.83 102.74 32.99 Favored Pre-proline 0 C--O 1.236 0.345 0 N-CA-C 111.938 0.347 . . . . 1.87 111.938 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.556 ' HA ' ' O ' ' A' ' 23' ' ' SER . 8.7 Cg_exo -73.6 111.53 3.31 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.855 2.37 . . . . 2.32 110.634 167.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -110.67 103.25 54.11 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.857 -0.611 . . . . 5.52 111.673 -173.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -94.93 175.27 1.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.296 2.664 . . . . 4.46 111.081 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -93.06 99.74 12.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.368 -0.605 . . . . 7.22 109.368 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -172.93 144.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.35 -0.611 . . . . 6.65 109.35 -175.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.95 99.08 3.73 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.386 -0.598 . . . . 7.11 109.386 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -110.51 131.71 21.92 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.276 -0.42 . . . . 5.92 110.761 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -62.31 160.01 32.93 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.977 2.452 . . . . 5.85 111.992 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.1 pt -85.42 10.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.154 -0.476 . . . . 4.86 111.871 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' HE2' ' A' ' 51' ' ' LYS . . . -53.24 -43.77 64.29 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.443 -0.408 . . . . 3.68 113.312 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.536 ' HB ' ' OD1' ' A' ' 2' ' ' ASN . 9.8 m -82.15 -29.33 31.64 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.327 -0.514 . . . . 3.2 110.282 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG22 ' OD1' ' A' ' 2' ' ' ASN . 13.0 t -64.6 -41.16 91.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.879 -0.6 . . . . 2.08 112.319 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.456 ' HE2' ' O ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -68.38 -19.59 64.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.018 0.437 . . . . 4.63 110.616 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.2 m -77.49 -38.78 48.37 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.403 -0.592 . . . . 2.5 109.403 171.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 49' ' ' THR . 28.6 mt -60.96 -43.35 95.77 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.103 0 CA-C-N 115.968 -0.56 . . . . 1.39 110.051 174.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.43 HE21 ' HA ' ' A' ' 51' ' ' LYS . 49.7 mt-30 -60.13 -22.49 62.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 3.21 111.846 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.87 -39.07 83.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.978 0.418 . . . . 3.77 109.897 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.515 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 15.5 m -86.7 -34.23 19.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.089 -0.505 . . . . 1.79 110.777 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -82.48 -30.04 30.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 1.24 112.058 -175.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.63 -28.76 8.18 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.626 -0.797 . . . . 1.75 113.115 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.2 mt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.813 -0.613 . . . . 5.65 110.626 -177.256 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . 0.441 ' HA ' ' HA ' ' A' ' -2' ' ' SER . 19.6 t70 . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.476 0.179 . . . . 20.6 111.155 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -69.8 -55.89 8.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.801 -0.181 . . . . 19.8 111.101 -176.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 23.7 m -68.04 -47.76 67.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.094 0.473 . . . . 19.22 110.081 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -137.97 120.36 2.01 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.159 -0.776 . . . . 16.43 111.159 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' -6' ' ' ASP . 28.5 t -78.45 -31.87 48.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.014 0.435 . . . . 14.72 110.205 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . 0.542 ' HG3' ' H ' ' A' ' 1' ' ' MET . 8.9 tp10 -137.78 139.68 40.17 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.991 -0.55 . . . . 12.81 109.719 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 88.0 mt -90.43 -7.51 52.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.171 -0.468 . . . . 12.32 110.408 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.542 ' H ' ' HG3' ' A' ' -1' ' ' GLU . 65.1 mtt -76.73 93.76 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 10.64 110.156 177.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -66.08 134.39 52.73 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.358 -0.608 . . . . 8.02 109.358 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -77.71 63.78 2.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.193 0.521 . . . . 3.95 111.623 -174.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 p -81.31 -12.82 58.94 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.979 -0.555 . . . . 3.66 110.16 176.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -46.69 -44.91 19.06 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.636 -0.711 . . . . 5.15 111.742 174.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.7 mt -66.8 -39.59 87.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.548 -0.751 . . . . 2.5 110.806 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.4 mt -69.06 -38.01 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 1.84 109.757 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 79.0 ttt180 -59.08 -55.43 35.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 4.93 111.243 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.7 ptm -66.28 -25.74 67.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.194 0.521 . . . . 3.14 110.94 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.4 tp -75.55 -42.38 52.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.454 -0.794 . . . . 1.21 110.322 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.59 -37.8 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.67 -0.695 . . . . 2.02 110.728 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 48.8 mt-10 -72.42 -16.59 61.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 1.67 111.905 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -81.05 -13.65 58.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 1.34 110.382 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.25 24.21 8.57 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.508 -0.854 . . . . 0.62 113.551 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -83.26 172.63 12.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.954 0.377 . . . . 0.85 110.676 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -135.63 137.09 41.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.454 -0.339 . . . . 5.19 110.584 -177.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.442 ' CD1' ' HB2' ' A' ' 25' ' ' HIS . 54.1 tp -74.31 109.05 7.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.174 -0.466 . . . . 1.25 109.908 176.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 m -99.6 -24.96 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 112.454 0.539 . . . . 1.7 112.454 -174.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -161.73 124.22 2.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 5.04 111.334 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.4 t -99.91 104.58 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.276 -0.42 . . . . 2.39 110.007 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -100.11 97.62 8.43 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.801 -0.444 . . . . 2.2 109.801 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.29 -112.92 5.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.707 -0.758 . . . . 1.77 112.012 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -99.46 -9.01 23.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.164 0.507 . . . . 2.93 109.922 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.62 99.07 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.319 0.58 . . . . 1.43 110.884 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.552 ' NE2' ' HB ' ' A' ' 38' ' ' VAL . 9.6 p-80 -88.94 131.6 35.07 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.891 -0.595 . . . . 2.92 110.102 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 78.7 m80 -101.11 123.4 45.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.606 -0.725 . . . . 4.01 111.33 -174.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -101.12 135.04 43.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.692 -0.686 . . . . 2.38 110.355 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -153.69 149.37 27.45 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.911 -0.586 . . . . 2.44 109.711 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.473 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 13.7 t-80 -110.49 137.94 20.83 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.712 -0.848 . . . . 1.79 108.712 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.473 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 54.4 Cg_endo -68.83 56.31 1.0 Allowed 'Trans proline' 0 N--CA 1.476 0.477 0 C-N-CA 123.023 2.482 . . . . 1.67 112.927 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 tptp 179.97 -26.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.451 -0.795 . . . . 3.21 109.279 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -110.08 128.51 25.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.66 -0.7 . . . . 3.32 110.453 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -82.2 17.78 1.52 Allowed 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.829 2.353 . . . . 2.18 112.434 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.02 97.65 2.08 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.974 -0.631 . . . . 1.27 111.873 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 32.5 tp -89.9 106.12 18.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.997 0.427 . . . . 2.0 110.107 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.433 ' CG1' HG21 ' A' ' 53' ' ' ILE . 53.4 t -91.65 117.35 34.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.997 -0.547 . . . . 1.19 110.917 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.9 m -101.65 107.56 18.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.821 -0.627 . . . . 1.45 110.29 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.552 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 16.6 t -109.69 99.66 38.95 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.653 0.263 . . . . 1.87 110.522 177.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.628 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 88.2 Cg_endo -91.43 151.27 3.61 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 123.47 2.78 . . . . 2.32 112.232 176.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -104.06 89.88 2.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.639 -0.255 . . . . 5.52 110.903 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.628 ' HD3' ' O ' ' A' ' 39' ' ' PRO . 57.4 Cg_endo -95.66 130.56 0.45 Allowed 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 123.046 2.497 . . . . 4.46 111.821 177.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -78.43 94.94 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.832 0.825 . . . . 7.22 109.705 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.491 ' HG2' ' H ' ' A' ' 44' ' ' ASP . 37.6 ttmt 177.72 178.89 0.31 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.434 -1.257 . . . . 6.65 107.728 -175.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.491 ' H ' ' HG2' ' A' ' 43' ' ' LYS . 32.3 t70 -68.44 116.01 8.51 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.369 -0.974 . . . . 7.11 108.369 165.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mp -62.57 122.58 74.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 120.714 0.293 . . . . 5.92 110.98 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.32 124.02 11.21 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.741 2.294 . . . . 5.85 111.955 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.6 tp -65.11 -24.52 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.92 -0.582 . . . . 4.86 110.408 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.32 -40.21 93.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.158 -0.544 . . . . 3.68 112.237 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.5 m -70.87 -33.7 70.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.139 0.495 . . . . 3.2 110.503 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.478 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 90.8 t -70.74 -33.14 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.122 -0.49 . . . . 2.08 110.471 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -61.67 -30.23 70.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.212 0.53 . . . . 4.63 110.204 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m -74.65 -33.56 62.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.817 -0.629 . . . . 2.5 109.981 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.433 HG21 ' CG1' ' A' ' 36' ' ' VAL . 42.0 mt -66.2 -51.95 53.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.265 -0.425 . . . . 1.39 110.347 176.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 50' ' ' VAL . 25.1 mt-30 -52.24 -56.57 13.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 3.21 111.533 -175.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -62.0 -25.6 67.74 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.705 0.261 . . . . 3.77 111.705 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.4 m -86.56 -33.9 20.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.712 0.291 . . . . 1.79 111.09 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.25 0.33 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.109 0.481 . . . . 1.24 111.076 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.77 10.27 65.19 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.955 -0.641 . . . . 1.75 112.417 176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.6 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.437 -0.792 . . . . 5.65 109.778 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 110.567 -0.16 . . . . 20.6 110.567 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 53.02 66.09 1.33 Allowed 'General case' 0 C--O 1.232 0.164 0 O-C-N 123.848 0.718 . . . . 19.8 110.913 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 12.0 m -146.68 64.34 1.19 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.623 -0.717 . . . . 19.22 109.38 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -129.46 27.49 4.18 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.648 -0.705 . . . . 16.43 112.169 -178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.5 m -79.82 -21.28 44.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.976 0.417 . . . . 14.72 110.512 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -106.97 132.26 53.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.074 0.464 . . . . 12.81 110.583 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 41' ' ' PRO . 1.3 pt? -135.81 55.77 1.85 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.566 -0.743 . . . . 12.32 109.404 177.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt 52.25 70.26 0.58 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.466 -0.788 . . . . 10.64 110.144 -174.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -81.1 59.0 3.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.668 -0.696 . . . . 8.02 111.182 -173.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -98.59 -60.31 1.57 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.037 -0.529 . . . . 3.95 109.968 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.565 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 41.3 m 60.34 48.93 7.44 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.943 0.401 . . . . 3.66 110.941 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.26 -47.52 85.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.561 . . . . 5.15 111.34 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.84 -26.61 67.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.421 . . . . 2.5 110.758 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt -80.03 -25.81 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.186 -0.461 . . . . 1.84 110.482 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 4' ' ' SER . 99.4 mtt180 -63.98 -48.61 75.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.394 . . . . 4.93 110.693 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -68.25 -23.29 64.77 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.468 0.651 . . . . 3.14 110.342 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.3 tp -79.01 -51.9 8.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.125 -0.943 . . . . 1.21 110.973 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.09 -39.39 85.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.524 -0.762 . . . . 2.02 111.873 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.74 -16.43 64.13 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.734 0.642 . . . . 1.67 112.734 -173.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -75.95 -26.01 56.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.072 0.463 . . . . 1.34 110.206 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.51 3.6 7.17 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.573 -0.822 . . . . 0.62 112.533 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.513 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 93.7 m95 -70.86 134.17 47.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 0.85 110.387 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -117.97 149.41 40.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.032 -0.531 . . . . 5.19 109.884 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.413 ' CD2' HG23 ' A' ' 20' ' ' VAL . 54.6 tp -75.51 109.79 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.085 -0.507 . . . . 1.25 110.226 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 m -94.38 -38.39 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.459 -0.337 . . . . 1.7 111.428 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.467 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 5.1 mmp_? -120.68 113.35 20.08 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.753 0.311 . . . . 5.04 110.352 178.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.413 HG23 ' CD2' ' A' ' 17' ' ' LEU . 27.8 t -88.25 103.19 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.97 -0.559 . . . . 2.39 110.287 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 22.9 m -117.81 132.77 56.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.842 -0.617 . . . . 2.2 109.817 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.17 55.04 3.57 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.339 -0.458 . . . . 1.77 113.302 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 p -167.92 -55.05 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.144 -0.687 . . . . 2.93 109.144 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 39' ' ' PRO . . . -132.85 128.11 35.93 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.984 -1.007 . . . . 1.43 110.032 176.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -87.06 131.93 33.97 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.085 -0.507 . . . . 2.92 110.001 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.467 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 73.9 m80 -105.84 114.39 28.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 4.01 109.974 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.5 m-85 -102.68 142.79 33.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.646 -0.706 . . . . 2.38 111.381 -177.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -157.11 134.95 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.519 -0.764 . . . . 2.44 110.083 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.479 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 16.2 t-80 -111.06 129.46 23.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.213 -0.662 . . . . 1.79 109.213 174.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 98.1 Cg_endo -71.37 51.9 1.48 Allowed 'Trans proline' 0 N--CA 1.481 0.764 0 C-N-CA 123.675 2.917 . . . . 1.67 113.73 -175.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -161.22 -41.0 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.361 -0.381 . . . . 3.21 110.126 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -107.99 127.52 27.48 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.378 -0.374 . . . . 3.32 110.378 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.78 138.47 37.81 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.734 2.289 . . . . 2.18 112.575 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.26 141.71 3.8 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.821 -0.705 . . . . 1.27 111.906 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.2 tp -119.16 114.4 22.39 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.7 -0.482 . . . . 2.0 109.7 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.405 HG11 HG21 ' A' ' 53' ' ' ILE . 42.0 t -95.2 122.18 46.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.053 -0.521 . . . . 1.19 110.718 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.4 m -111.01 100.03 8.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.944 -0.571 . . . . 1.45 110.36 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.7 m -103.88 109.3 62.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 121.132 0.492 . . . . 1.87 110.898 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 83.6 Cg_endo -85.15 148.81 10.51 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.952 2.435 . . . . 2.32 112.682 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -87.89 156.25 52.51 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.792 -0.64 . . . . 5.52 109.921 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.495 ' HG2' ' O ' ' A' ' 0' ' ' LEU . 28.3 Cg_exo -28.95 110.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 124.78 3.653 . . . . 4.46 114.656 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -154.46 -163.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.089 -0.96 . . . . 7.22 109.256 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -72.25 119.99 17.23 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.019 -0.734 . . . . 6.65 109.019 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.28 118.98 7.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.655 -0.702 . . . . 7.11 112.46 -170.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mp -77.13 167.04 39.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.755 -0.657 . . . . 5.92 109.432 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.52 139.08 57.17 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.576 2.184 . . . . 5.85 111.707 174.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm -63.21 -17.88 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.967 -0.561 . . . . 4.86 110.615 -176.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -53.63 -38.06 57.94 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.758 -0.655 . . . . 3.68 112.407 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 53.3 p -68.21 -32.26 72.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.262 0.553 . . . . 3.2 110.833 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.8 t -74.54 -43.63 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.625 -0.716 . . . . 2.08 111.646 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -19.31 63.29 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.435 -0.506 . . . . 4.63 110.091 177.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.1 m -68.33 -34.17 75.63 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.638 -0.505 . . . . 2.5 109.638 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.405 HG21 HG11 ' A' ' 36' ' ' VAL . 44.2 mt -60.41 -51.55 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.399 -0.593 . . . . 1.39 109.399 175.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.17 -36.43 79.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.58 -0.736 . . . . 3.21 111.103 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -72.71 -30.45 64.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.367 -0.378 . . . . 3.77 111.235 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -86.24 -41.4 14.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.974 0.416 . . . . 1.79 110.949 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.513 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -82.29 -31.4 30.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.993 -0.549 . . . . 1.24 112.243 -174.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -131.31 7.65 5.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.268 -0.967 . . . . 1.75 113.04 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.479 ' HA ' ' O ' ' A' ' 55' ' ' LYS . 6.6 mp . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.582 -0.723 . . . . 5.65 111.434 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.467 0.175 . . . . 20.6 111.379 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -61.06 -55.11 36.53 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.602 -0.272 . . . . 19.8 110.533 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 44.9 m -71.46 92.44 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.4 0.619 . . . . 19.22 109.879 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 145.15 -32.49 1.66 Allowed Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.929 -0.868 . . . . 16.43 110.929 -175.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.6 t -92.33 41.54 1.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.629 0.728 . . . . 14.72 109.535 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -144.27 90.26 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.49 -0.777 . . . . 12.81 109.529 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.17 174.78 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.546 -0.752 . . . . 12.32 110.502 -176.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -87.29 49.93 1.91 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.096 -0.502 . . . . 10.64 110.479 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -158.6 89.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.89 -0.595 . . . . 8.02 109.961 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -72.78 83.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.35 0.595 . . . . 3.95 109.804 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.6 t -152.52 49.5 0.75 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.507 -0.769 . . . . 3.66 109.515 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -65.0 -30.4 71.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.447 -0.797 . . . . 5.15 110.78 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.57 -49.69 75.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 2.5 110.701 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.3 mm -70.34 -36.66 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 1.84 110.055 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.547 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 32.8 tpt180 -61.93 -49.71 75.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.072 -0.513 . . . . 4.93 110.744 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 tpt -57.42 -44.92 85.04 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.344 0.593 . . . . 3.14 110.549 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.79 -35.05 78.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.969 -1.014 . . . . 1.21 110.379 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -71.76 -41.88 67.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.237 -0.892 . . . . 2.02 110.9 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 41.8 mt-10 -67.39 -33.89 76.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.912 -0.585 . . . . 1.67 112.164 -175.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.73 -22.37 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 1.34 110.582 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.48 25.35 2.93 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.3 -0.952 . . . . 0.62 113.343 175.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 68.0 m95 -100.08 139.41 35.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.959 0.379 . . . . 0.85 110.661 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -127.37 157.93 38.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.172 -0.467 . . . . 5.19 109.995 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 25' ' ' HIS . 57.8 tp -70.98 125.34 26.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.692 -0.685 . . . . 1.25 111.046 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.4 m -113.76 -36.57 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.768 0.285 . . . . 1.7 111.768 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -143.17 141.95 31.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 5.04 110.89 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.1 t -121.32 125.75 74.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.403 -0.362 . . . . 2.39 110.601 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.1 p -125.14 100.88 6.75 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.753 -0.462 . . . . 2.2 109.753 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.24 -112.99 5.44 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.137 -0.554 . . . . 1.77 112.012 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 m -106.09 -0.12 25.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.038 0.447 . . . . 2.93 110.375 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.53 120.25 36.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.995 -0.548 . . . . 1.43 110.377 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.415 ' HB3' HD11 ' A' ' 17' ' ' LEU . 12.1 m170 -100.05 127.37 46.28 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.899 -0.591 . . . . 2.92 110.244 -177.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.518 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 71.5 m-70 -99.42 121.74 41.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.101 0.477 . . . . 4.01 110.107 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 25.0 m-85 -108.25 144.22 36.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.394 -0.821 . . . . 2.38 110.055 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -157.66 125.09 5.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.55 0.691 . . . . 2.44 111.62 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -112.41 112.05 51.99 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 114.761 -1.108 . . . . 1.79 108.649 176.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.16 -11.58 13.34 Favored 'Trans proline' 0 N--CA 1.478 0.597 0 C-N-CA 123.282 2.655 . . . . 1.67 114.609 -171.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -85.79 -30.71 22.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 3.21 110.214 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -110.6 120.02 44.95 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 3.32 110.114 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.24 84.69 0.45 Allowed 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.702 2.268 . . . . 2.18 112.891 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.44 147.26 13.53 Favored Glycine 0 N--CA 1.439 -1.129 0 C-N-CA 120.247 -0.978 . . . . 1.27 112.43 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.0 tp -122.54 114.66 20.97 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.356 -0.609 . . . . 2.0 109.356 172.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 26' ' ' HIS . 40.9 t -100.97 135.71 35.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.114 -0.494 . . . . 1.19 110.945 -177.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.8 m -124.12 99.08 6.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.251 -0.431 . . . . 1.45 109.867 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.409 HG13 HD11 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -99.67 112.93 64.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.526 . . . . 1.87 111.549 -179.368 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -88.35 149.84 6.56 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.15 2.567 . . . . 2.32 111.715 174.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -82.27 141.5 46.24 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.336 -0.393 . . . . 5.52 110.321 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -41.8 105.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 124.325 3.35 . . . . 4.46 114.53 -174.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -133.84 -162.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.142 -0.936 . . . . 7.22 109.491 176.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.596 ' HG3' ' H ' ' A' ' 44' ' ' ASP . 2.0 tppp? -72.64 -175.72 1.75 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.716 -0.476 . . . . 6.65 109.716 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.596 ' H ' ' HG3' ' A' ' 43' ' ' LYS . 4.5 m-20 -55.45 109.92 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.982 0.734 . . . . 7.11 112.982 -177.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mp -109.14 162.78 18.83 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.073 -1.084 . . . . 5.92 108.073 165.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.73 109.72 0.33 Allowed 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.346 2.031 . . . . 5.85 112.192 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.8 pt -67.49 -14.16 17.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 115.968 -0.56 . . . . 4.86 111.507 -176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.28 -28.08 61.24 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.532 -0.627 . . . . 3.68 111.532 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.542 ' O ' HG13 ' A' ' 53' ' ' ILE . 6.3 m -64.76 -39.13 93.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.136 0.494 . . . . 3.2 110.273 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.5 t -70.84 -44.21 76.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.666 -0.697 . . . . 2.08 111.984 -175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -19.15 63.15 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.486 -0.486 . . . . 4.63 110.287 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.1 m -77.23 -27.53 53.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 2.5 110.351 172.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 49' ' ' THR . 57.1 mt -63.87 -57.56 11.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 N-CA-C 109.982 -0.377 . . . . 1.39 109.982 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -59.42 -36.48 75.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 3.21 111.132 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -59.79 -48.13 82.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.969 -0.559 . . . . 3.77 110.623 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.617 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 12.2 m -79.74 -46.53 16.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.087 -0.506 . . . . 1.79 111.656 -175.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.57 -28.74 65.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.906 0.384 . . . . 1.24 111.357 -177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.19 -43.57 4.02 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.731 -0.747 . . . . 1.75 112.508 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 56' ' ' SER . 79.0 mt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.907 -0.568 . . . . 5.65 111.572 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 120.813 0.34 . . . . 20.6 110.705 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -96.32 132.95 41.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.35 -0.386 . . . . 19.8 109.986 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 5.0 m -64.3 127.58 32.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.49 -0.323 . . . . 19.22 110.795 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 93.58 -1.87 69.59 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.718 -0.754 . . . . 16.43 112.229 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 13.1 t -76.18 -20.46 57.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.365 0.602 . . . . 14.72 109.761 178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.95 82.06 5.17 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.603 -0.726 . . . . 12.81 109.657 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 88.6 mt -110.32 162.13 14.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.066 -0.515 . . . . 12.32 110.817 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm -113.67 100.51 8.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.428 -0.806 . . . . 10.64 109.565 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -75.12 150.68 38.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.09 -0.505 . . . . 8.02 110.178 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -72.55 89.37 1.28 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.146 -0.479 . . . . 3.95 109.836 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 m -107.1 24.34 12.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.995 -0.548 . . . . 3.66 111.095 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.4 tmtt? -65.78 -41.27 92.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 5.15 110.785 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.51 -37.73 68.28 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.972 -0.381 . . . . 2.5 109.972 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.45 -36.56 75.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 1.84 109.79 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 55.6 ttp180 -59.62 -48.59 81.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.522 -0.763 . . . . 4.93 110.572 177.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 59.7 mtp -61.35 -49.17 78.03 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.285 0.564 . . . . 3.14 109.797 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.0 tp -52.27 -32.86 39.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.554 -1.203 . . . . 1.21 110.847 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -80.61 -53.35 6.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.054 -0.521 . . . . 2.02 110.849 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 10.6 pt-20 -72.84 -13.32 61.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.387 -0.37 . . . . 1.67 111.568 -176.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.23 -24.4 67.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.106 0.479 . . . . 1.34 110.068 175.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.1 -8.01 7.61 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.646 -0.788 . . . . 0.62 112.901 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.533 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 84.7 m95 -65.07 135.78 55.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.958 0.408 . . . . 0.85 109.986 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -109.28 142.92 39.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.331 -0.395 . . . . 5.19 110.553 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 HD12 ' HB ' ' A' ' 20' ' ' VAL . 43.3 tp -74.25 99.38 3.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.746 -0.464 . . . . 1.25 109.746 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 m -93.98 -33.39 5.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.251 -0.431 . . . . 1.7 111.045 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -141.84 137.27 31.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.405 -0.361 . . . . 5.04 110.069 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.47 ' HB ' HD12 ' A' ' 17' ' ' LEU . 1.4 p -140.12 106.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.471 0.653 . . . . 2.39 110.421 177.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 p -111.92 98.79 7.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.718 -0.674 . . . . 2.2 110.726 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.49 -126.6 19.09 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.815 -0.707 . . . . 1.77 111.975 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -82.73 -32.78 27.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.928 0.394 . . . . 2.93 110.641 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.9 117.93 23.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.155 -0.475 . . . . 1.43 110.7 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 37' ' ' THR . 10.9 p-80 -123.72 135.71 54.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.134 -0.485 . . . . 2.92 111.394 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.606 ' NE2' HD13 ' A' ' 35' ' ' LEU . 2.2 t-160 -97.14 125.15 41.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.531 -0.759 . . . . 4.01 111.428 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.516 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 42.4 m-85 -100.76 134.93 43.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.761 -1.109 . . . . 2.38 109.88 174.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.603 ' HB2' ' NE2' ' A' ' 26' ' ' HIS . 85.9 tttt -148.38 133.27 18.06 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.304 -0.407 . . . . 2.44 110.03 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.462 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 18.6 t-80 -109.79 127.6 26.85 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.571 -0.9 . . . . 1.79 108.571 176.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 56.8 Cg_endo -67.27 58.09 0.64 Allowed 'Trans proline' 0 N--CA 1.481 0.766 0 C-N-CA 123.505 2.803 . . . . 1.67 113.416 -176.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -176.2 -28.03 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.428 -0.805 . . . . 3.21 108.984 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -101.23 120.18 55.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 3.32 110.325 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -76.6 111.9 3.34 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.046 1.831 . . . . 2.18 111.273 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.24 145.53 4.97 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.073 -1.06 . . . . 1.27 112.668 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.606 HD13 ' NE2' ' A' ' 26' ' ' HIS . 9.1 tp -111.2 99.12 8.01 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.953 -0.388 . . . . 2.0 109.953 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 68.8 t -98.3 99.3 8.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.82 -0.437 . . . . 1.19 109.82 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 28.1 m -111.07 102.99 11.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.216 -0.447 . . . . 1.45 109.962 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.2 t -103.04 114.49 65.16 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.217 -0.447 . . . . 1.87 110.937 -175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -89.61 150.07 5.17 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.056 2.504 . . . . 2.32 111.856 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -126.4 86.24 58.62 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 121.389 0.614 . . . . 5.52 110.714 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -104.56 177.47 0.12 Allowed 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 123.647 2.898 . . . . 4.46 112.502 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -85.34 98.07 10.33 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.545 -0.909 . . . . 7.22 108.545 169.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt 179.87 146.11 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.341 -0.845 . . . . 6.65 109.343 -174.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.59 112.23 5.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.593 -0.521 . . . . 7.11 109.593 173.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.83 129.34 94.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 5.92 110.706 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.23 112.06 1.19 Allowed 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.656 2.237 . . . . 5.85 111.508 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 tp -62.3 -30.68 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 4.86 111.069 -175.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.53 -45.39 96.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 3.68 111.892 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.497 ' O ' HG13 ' A' ' 53' ' ' ILE . 22.6 m -67.16 -40.93 86.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.925 0.393 . . . . 3.2 110.661 178.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.7 t -68.62 -37.32 77.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 2.08 111.565 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -65.91 -31.52 72.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.908 0.385 . . . . 4.63 109.99 174.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 t -66.84 -39.31 87.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.419 -0.585 . . . . 2.5 109.419 174.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 49' ' ' THR . 24.6 mt -60.78 -49.53 84.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-N 116.309 -0.405 . . . . 1.39 109.964 175.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -56.82 -43.22 80.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 3.21 110.702 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.78 -44.81 88.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.918 -0.583 . . . . 3.77 111.053 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 t -69.75 -38.07 76.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.432 . . . . 1.79 111.059 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.533 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -80.78 -30.6 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.856 0.36 . . . . 1.24 111.611 -177.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.78 42.75 3.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.847 -0.692 . . . . 1.75 112.195 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.209 -0.9 . . . . 5.65 110.404 -177.897 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 110.351 -0.24 . . . . 20.6 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 58.01 62.72 1.97 Allowed 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.785 0.678 . . . . 19.8 110.907 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 12.0 t -101.56 -28.14 12.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.167 -0.47 . . . . 19.22 111.257 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -92.55 -45.59 3.68 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.353 -0.927 . . . . 16.43 112.304 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 17.1 m -87.67 102.98 15.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.863 0.364 . . . . 14.72 110.561 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -76.2 112.54 12.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.069 -0.514 . . . . 12.81 109.619 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 48.9 tp -71.73 97.37 1.75 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.301 0.572 . . . . 12.32 111.865 -173.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpt -128.81 132.28 47.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.018 -0.992 . . . . 10.64 108.644 171.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -68.88 108.73 3.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.252 0.549 . . . . 8.02 112.265 -170.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m 70.03 -72.87 0.1 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.854 -1.066 . . . . 3.95 112.703 174.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.4 p -83.32 41.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.803 0.335 . . . . 3.66 111.88 -173.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.482 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 46.9 pttt -55.7 -59.99 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 5.15 112.046 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' H ' ' HG3' ' A' ' 5' ' ' LYS . 89.9 mt -78.46 -36.48 45.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.661 0.267 . . . . 2.5 110.489 -178.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mt -58.69 -37.53 66.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.98 -0.554 . . . . 1.84 110.712 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.455 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 6.6 tpm_? -56.48 -56.28 23.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.61 -0.723 . . . . 4.93 111.011 178.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.476 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 21.5 ptt? -69.83 -31.58 69.53 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.986 -0.376 . . . . 3.14 109.986 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.47 -51.71 66.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.774 -0.648 . . . . 1.21 111.168 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.43 -38.39 90.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.859 -0.61 . . . . 2.02 112.136 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 12.4 pt-20 -90.65 -6.51 54.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.877 0.325 . . . . 1.67 111.877 -175.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 9' ' ' MET . 16.5 t70 -80.61 -25.43 38.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.018 0.437 . . . . 1.34 109.987 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.9 0.99 7.61 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.526 -0.845 . . . . 0.62 113.278 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.402 ' HZ3' ' O ' ' A' ' 34' ' ' GLY . 69.5 m95 -75.24 134.03 41.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.068 0.434 . . . . 0.85 110.159 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -110.75 145.52 37.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.261 -0.427 . . . . 5.19 110.591 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.59 104.83 5.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.207 -0.664 . . . . 1.25 109.207 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.24 -19.26 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.351 -0.386 . . . . 1.7 111.411 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -147.18 124.3 11.44 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.96 -0.385 . . . . 5.04 109.96 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -87.11 98.65 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.919 -0.582 . . . . 2.39 110.036 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.683 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 5.5 m -114.04 118.04 32.97 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.302 -0.863 . . . . 2.2 109.306 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.5 84.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.217 -0.516 . . . . 1.77 112.387 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -63.27 -49.58 73.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.913 0.387 . . . . 2.93 110.142 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.683 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -156.75 122.43 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.838 -0.619 . . . . 1.43 110.154 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -69.6 133.07 47.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.257 -0.429 . . . . 2.92 110.607 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -106.57 106.98 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 4.01 110.947 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -101.6 149.68 23.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.577 -0.738 . . . . 2.38 110.833 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -151.57 141.29 21.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.781 -0.645 . . . . 2.44 109.898 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.459 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 29.1 t-80 -90.53 128.77 47.48 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.958 -0.756 . . . . 1.79 108.958 176.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.459 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 62.0 Cg_endo -67.98 61.42 0.96 Allowed 'Trans proline' 0 N--CA 1.478 0.599 0 C-N-CA 123.419 2.746 . . . . 1.67 113.296 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -175.36 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.495 -0.557 . . . . 3.21 109.495 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -108.31 133.71 20.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.71 -0.677 . . . . 3.32 110.654 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.22 51.51 2.88 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 123.198 2.598 . . . . 2.18 112.562 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' O ' ' HZ3' ' A' ' 15' ' ' TRP . . . -103.9 129.33 9.82 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.978 -0.849 . . . . 1.27 110.978 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 tp -111.59 111.87 23.18 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.853 0.359 . . . . 2.0 110.67 -177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 t -91.83 127.44 44.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.974 -0.557 . . . . 1.19 110.04 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -112.62 101.34 9.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.167 -0.47 . . . . 1.45 110.438 -177.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t -99.74 122.55 50.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.326 -0.397 . . . . 1.87 111.911 -173.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.57 149.87 44.68 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.749 2.299 . . . . 2.32 111.819 175.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -83.39 157.17 65.37 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.274 -0.421 . . . . 5.52 111.208 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.29 166.27 1.79 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.348 2.699 . . . . 4.46 113.617 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.8 tttt 26.02 95.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.724 1.209 . . . . 7.22 112.794 -169.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.598 ' HD3' ' N ' ' A' ' 44' ' ' ASP . 13.1 tmtt? 178.24 148.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.489 -1.3 . . . . 6.65 107.489 -177.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.598 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 19.5 t70 -60.58 99.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.801 -0.444 . . . . 7.11 109.801 173.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -73.08 125.0 91.27 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.733 -0.667 . . . . 5.92 110.656 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -70.27 108.1 2.1 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.058 1.839 . . . . 5.85 110.968 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.3 mm -64.71 -37.48 80.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.989 -0.551 . . . . 4.86 110.979 -174.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.37 -42.79 95.84 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.6 -0.809 . . . . 3.68 111.643 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 53' ' ' ILE . 10.6 m -68.2 -38.86 82.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.954 0.407 . . . . 3.2 110.731 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.9 t -68.64 -38.67 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 2.08 111.386 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -68.38 -23.48 64.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.119 0.485 . . . . 4.63 109.973 175.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 t -75.85 -32.9 59.97 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.128 -0.487 . . . . 2.5 109.699 175.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 49' ' ' THR . 28.1 mt -63.68 -47.72 89.87 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 N-CA-C 109.045 -0.724 . . . . 1.39 109.045 173.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -60.08 -31.74 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.509 -0.769 . . . . 3.21 110.476 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -66.0 -59.46 3.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 3.77 111.113 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 m -76.61 -48.92 17.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.23 0.455 . . . . 1.79 112.23 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.37 -24.42 34.49 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.764 0.283 . . . . 1.24 111.764 -174.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.99 -49.55 1.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.566 -0.826 . . . . 1.75 112.804 -176.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.289 -0.862 . . . . 5.65 110.803 -177.823 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 109.946 -0.39 . . . . 20.6 109.946 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -76.4 -31.55 58.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.377 -0.374 . . . . 19.8 111.485 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 20.3 m -92.33 -38.79 11.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.448 0.642 . . . . 19.22 109.506 175.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 149.94 161.72 10.02 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.185 -0.916 . . . . 16.43 111.482 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 29.1 p -60.88 -53.07 61.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.251 0.548 . . . . 14.72 110.019 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 1' ' ' MET . 37.3 tt0 -129.1 -84.2 0.56 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.361 -0.836 . . . . 12.81 108.969 172.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' LEU . . . . . 0.458 ' HB3' ' OG1' ' A' ' 49' ' ' THR . 78.7 mt 52.54 31.26 9.66 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.602 0.564 . . . . 12.32 111.828 176.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.407 ' H ' ' HG2' ' A' ' -1' ' ' GLU . 64.8 mtt -140.35 99.35 3.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.55 . . . . 10.64 109.752 -178.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.467 ' ND2' HD13 ' A' ' 45' ' ' LEU . 44.3 m-80 -141.62 111.87 6.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.305 -0.407 . . . . 8.02 110.127 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -147.94 158.61 44.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.885 0.374 . . . . 3.95 111.265 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.6 t -160.97 -45.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.769 -0.65 . . . . 3.66 109.62 176.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -90.07 -43.51 10.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 5.15 111.382 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.3 -18.61 64.76 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.324 0.49 . . . . 2.5 112.324 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.9 mt -55.12 -32.32 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 1.84 111.117 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 26.1 mmm180 -64.07 -44.5 92.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.361 -0.382 . . . . 4.93 111.131 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.1 tpt -64.3 -38.6 91.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.999 0.428 . . . . 3.14 110.638 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.7 tp -64.86 -29.03 69.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.669 -0.696 . . . . 1.21 110.205 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -73.75 -45.91 49.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.415 -0.811 . . . . 2.02 109.904 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 36.3 mt-10 -70.48 -23.75 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.686 -0.688 . . . . 1.67 111.346 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.68 -26.28 61.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.397 -0.365 . . . . 1.34 110.578 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.51 22.63 5.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.421 -0.895 . . . . 0.62 113.676 174.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.628 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 52.2 m95 -90.76 131.0 36.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.12 0.46 . . . . 0.85 110.42 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -110.25 147.18 34.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.871 -0.604 . . . . 5.19 110.525 -172.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.8 tp -70.77 99.41 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 1.25 110.32 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 m -94.68 -24.04 4.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.825 -0.625 . . . . 1.7 111.738 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -150.5 131.95 14.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.04 0.448 . . . . 5.04 111.066 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -100.05 149.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.895 -0.593 . . . . 2.39 110.785 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 4.2 m -136.3 159.73 40.85 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.605 -0.887 . . . . 2.2 108.605 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.07 -51.88 7.15 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 114.474 0.55 . . . . 1.77 114.474 -174.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -107.1 -45.52 4.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 117.303 0.551 . . . . 2.93 111.299 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.497 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -109.45 163.53 13.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.844 0.354 . . . . 1.43 111.139 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -120.52 143.99 48.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.589 -0.278 . . . . 2.92 110.685 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.516 ' NE2' HD13 ' A' ' 35' ' ' LEU . 7.4 t-80 -98.89 130.98 45.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.447 0.642 . . . . 4.01 111.45 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -110.9 140.82 45.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.909 -1.041 . . . . 2.38 110.381 175.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -149.16 136.71 20.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.147 0.499 . . . . 2.44 110.503 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 17.2 t-80 -106.1 131.54 21.64 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 107.975 -1.12 . . . . 1.79 107.975 175.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 59.1 Cg_endo -67.61 36.53 0.16 Allowed 'Trans proline' 0 N--CA 1.483 0.869 0 C-N-CA 123.471 2.781 . . . . 1.67 113.995 -175.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 29' ' ' HIS . 72.8 mmtt -140.77 -38.9 0.42 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.787 -0.82 . . . . 3.21 108.787 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -111.05 111.14 56.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.251 -0.886 . . . . 3.32 110.086 176.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.79 50.07 2.65 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.97 2.447 . . . . 2.18 112.804 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.49 148.86 18.46 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.934 -0.651 . . . . 1.27 111.868 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.516 HD13 ' NE2' ' A' ' 26' ' ' HIS . 2.7 tp -101.75 98.74 8.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.021 0.439 . . . . 2.0 109.95 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 26' ' ' HIS . 42.0 t -90.69 117.25 33.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.065 -0.516 . . . . 1.19 109.657 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 m -112.18 103.95 12.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.326 -0.397 . . . . 1.45 110.124 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.7 t -104.17 119.51 53.9 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 1.87 111.975 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.07 154.34 25.44 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 123.761 2.974 . . . . 2.32 111.318 171.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -76.66 147.35 78.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.593 -0.892 . . . . 5.52 108.593 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -20.67 99.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 125.175 3.917 . . . . 4.46 114.489 -171.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.511 ' HG2' ' H ' ' A' ' 43' ' ' LYS . 36.3 tttm -111.72 -164.72 0.93 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.874 -1.057 . . . . 7.22 109.815 -173.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.511 ' H ' ' HG2' ' A' ' 42' ' ' LYS . 65.8 mttm -74.36 151.18 39.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.043 0.449 . . . . 6.65 110.747 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -83.11 98.19 9.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.017 -0.538 . . . . 7.11 109.669 177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 43.0 mt -110.65 168.7 7.22 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.519 -0.764 . . . . 5.92 109.723 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 45' ' ' LEU . 83.6 Cg_exo -46.51 131.03 15.25 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.521 2.147 . . . . 5.85 112.556 177.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.4 pp -83.47 5.2 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.946 -0.57 . . . . 4.86 112.037 -175.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.03 -41.22 99.66 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.906 -0.664 . . . . 3.68 112.233 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.458 ' OG1' ' HB3' ' A' ' 0' ' ' LEU . 10.8 t -78.91 -27.45 43.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.497 0.665 . . . . 3.2 110.019 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.5 t -67.16 -20.88 27.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.145 -0.934 . . . . 2.08 110.802 176.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -56.41 -20.41 19.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.009 -0.542 . . . . 4.63 111.382 173.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.7 t -62.08 -41.59 98.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.574 -0.528 . . . . 2.5 109.574 173.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.4 mt -71.36 -43.3 73.55 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 CA-C-N 116.126 -0.488 . . . . 1.39 109.702 176.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -67.1 -23.15 65.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.954 -0.566 . . . . 3.21 111.434 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -81.21 -50.95 8.95 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.759 -0.459 . . . . 3.77 109.759 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.9 t -58.91 -43.08 91.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.03 -0.532 . . . . 1.79 110.058 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.628 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -93.33 21.62 5.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.759 -0.655 . . . . 1.24 110.839 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.59 -108.58 0.27 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.663 -0.779 . . . . 1.75 112.848 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.491 -0.766 . . . . 5.65 111.465 -173.167 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.924 0.392 . . . . 20.6 110.1 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -109.81 161.64 15.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.01 -0.541 . . . . 19.8 110.176 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 13.0 t -167.21 151.37 6.8 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.103 -0.499 . . . . 19.22 109.694 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -166.62 159.51 32.87 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.496 -0.642 . . . . 16.43 111.496 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.3 m -91.78 79.4 5.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.192 0.52 . . . . 14.72 110.769 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -87.78 154.62 20.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.689 -0.687 . . . . 12.81 109.946 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 48.6 mt 62.07 22.92 13.46 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.067 0.547 . . . . 12.32 110.701 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt -122.01 105.09 9.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.853 -0.612 . . . . 10.64 109.941 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -80.5 57.48 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.697 0.761 . . . . 8.02 110.139 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 t -126.34 -0.02 7.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.323 -0.853 . . . . 3.95 109.516 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 48.9 m -155.56 12.86 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 3.66 111.398 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 5' ' ' LYS . 28.6 mmtp -83.85 -56.66 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.698 0.285 . . . . 5.15 111.286 -176.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.15 -32.95 71.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.488 -0.56 . . . . 2.5 109.488 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mt -64.15 -34.7 70.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.302 -0.863 . . . . 1.84 111.017 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 4' ' ' SER . 0.9 OUTLIER -65.67 -47.62 74.88 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.339 -0.615 . . . . 4.93 109.339 178.196 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.9 tpt -57.51 -48.02 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.813 -0.631 . . . . 3.14 110.422 175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.04 -40.89 67.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.023 -0.989 . . . . 1.21 111.064 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -72.54 -44.76 61.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.864 -0.607 . . . . 2.02 111.035 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.0 pt-20 -75.24 -17.99 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.471 -0.331 . . . . 1.67 111.692 -176.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.6 -18.23 61.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.956 0.408 . . . . 1.34 110.512 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.46 -5.41 8.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.508 -0.853 . . . . 0.62 113.348 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -72.47 146.45 46.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.991 0.424 . . . . 0.85 110.919 -177.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.43 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 3.8 mmp_? -114.78 139.11 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.127 -0.488 . . . . 5.19 110.946 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.411 HD22 HG13 ' A' ' 20' ' ' VAL . 54.6 tp -73.09 96.65 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.164 -0.68 . . . . 1.25 109.164 173.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.4 m -98.48 -20.87 5.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.961 -0.563 . . . . 1.7 112.046 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -143.35 119.6 10.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.859 0.362 . . . . 5.04 110.573 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.411 HG13 HD22 ' A' ' 17' ' ' LEU . 33.9 m -94.98 146.25 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.991 -0.55 . . . . 2.39 110.961 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 8.3 m -149.95 158.61 44.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.125 -1.065 . . . . 2.2 108.125 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.43 -66.24 2.51 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 121.356 -0.45 . . . . 1.77 114.065 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 p -87.48 -37.41 16.98 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.353 0.501 . . . . 2.93 112.353 -174.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.629 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -121.61 151.69 40.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 1.43 111.815 -174.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -122.13 132.7 54.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.111 -0.495 . . . . 2.92 110.07 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.63 ' NE2' HD13 ' A' ' 35' ' ' LEU . 7.2 t-80 -94.5 126.68 39.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.511 0.672 . . . . 4.01 111.122 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -110.48 141.89 42.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.757 -1.11 . . . . 2.38 110.042 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -151.32 143.1 23.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.809 -0.632 . . . . 2.44 109.33 -178.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.522 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 8.0 t-80 -102.42 129.31 26.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.228 -0.656 . . . . 1.79 109.228 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.522 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 73.0 Cg_endo -70.46 50.98 1.06 Allowed 'Trans proline' 0 N--CA 1.478 0.564 0 C-N-CA 123.471 2.781 . . . . 1.67 113.564 -176.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -166.58 -47.85 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.204 0.526 . . . . 3.21 109.749 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB2' ' HZ3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -107.75 132.99 20.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.638 -0.71 . . . . 3.32 109.74 177.208 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -74.0 155.08 47.98 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.481 2.12 . . . . 2.18 111.856 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.22 129.33 1.3 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.773 -0.727 . . . . 1.27 111.911 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.63 HD13 ' NE2' ' A' ' 26' ' ' HIS . 3.8 tp -99.54 98.5 9.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.877 0.37 . . . . 2.0 110.142 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 26' ' ' HIS . 38.6 t -91.38 99.66 10.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.285 -0.635 . . . . 1.19 109.285 173.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.548 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 21.2 m -105.37 99.92 9.51 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.923 -0.58 . . . . 1.45 109.887 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.4 t -95.28 106.72 27.88 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 116.11 -0.495 . . . . 1.87 111.312 -175.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.548 ' HD3' ' O ' ' A' ' 37' ' ' THR . 1.4 Cg_endo -84.16 134.23 5.91 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.957 2.438 . . . . 2.32 111.771 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -82.31 146.25 53.94 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 116.063 -0.517 . . . . 5.52 110.336 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -35.69 98.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 124.625 3.55 . . . . 4.46 114.11 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.422 ' HG3' ' H ' ' A' ' 43' ' ' LYS . 42.3 tptt 179.33 176.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.178 -1.416 . . . . 7.22 107.178 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' H ' ' HG3' ' A' ' 42' ' ' LYS . 53.7 mtmt -74.97 114.45 13.47 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 120.099 -0.64 . . . . 6.65 109.982 173.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.408 ' CG ' ' H ' ' A' ' 45' ' ' LEU . 7.6 t70 -153.14 -169.91 3.46 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.611 -0.885 . . . . 7.11 108.611 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.408 ' H ' ' CG ' ' A' ' 44' ' ' ASP . 10.9 mp -39.93 138.35 1.08 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 123.822 0.701 . . . . 5.92 111.751 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -60.77 162.33 18.88 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.485 2.79 . . . . 5.85 112.867 -174.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.3 pt -63.75 -10.91 7.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.205 -0.907 . . . . 4.86 112.037 -176.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.32 -24.29 65.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.912 -0.661 . . . . 3.68 111.464 172.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.5 ' O ' HG13 ' A' ' 53' ' ' ILE . 3.0 m -79.3 -32.98 43.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.36 0.6 . . . . 3.2 109.713 175.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.4 t -69.25 -45.74 78.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.514 -0.766 . . . . 2.08 111.579 -177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' C ' ' HD3' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -65.51 -18.47 65.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.059 0.457 . . . . 4.63 110.269 176.488 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.411 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 26.2 t -78.54 -35.86 45.53 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.606 -0.516 . . . . 2.5 109.606 174.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 49' ' ' THR . 42.8 mt -61.88 -51.68 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 CA-C-O 121.003 0.43 . . . . 1.39 110.315 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -61.72 -24.01 66.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.559 -0.746 . . . . 3.21 111.301 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -86.73 -52.8 5.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.549 -0.751 . . . . 3.77 111.05 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.9 m -62.1 -39.84 93.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 1.79 110.709 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.34 20.99 12.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.949 -0.569 . . . . 1.24 110.562 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -155.89 -104.88 0.23 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 121.052 -0.594 . . . . 1.75 111.894 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' N ' HD21 ' A' ' 59' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.241 -0.885 . . . . 5.65 110.143 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.805 0.336 . . . . 20.6 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -83.22 115.46 21.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.385 -0.37 . . . . 19.8 110.306 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 2.1 p -66.52 115.67 6.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.036 0.446 . . . . 19.22 110.085 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . 0.408 ' CA ' HD22 ' A' ' 0' ' ' LEU . . . -91.69 -98.59 1.3 Allowed Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.722 -0.751 . . . . 16.43 112.507 -175.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 40.4 m 63.44 82.36 0.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 122.829 0.452 . . . . 14.72 111.488 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 66.73 79.44 0.24 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.248 -0.887 . . . . 12.81 111.769 175.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' LEU . . . . . 0.408 HD22 ' CA ' ' A' ' -3' ' ' GLY . 2.3 mm? -96.21 64.79 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.52 -0.548 . . . . 12.32 109.52 176.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? 64.96 89.48 0.09 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.906 -0.588 . . . . 10.64 109.722 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -117.74 -3.71 11.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.958 -0.565 . . . . 8.02 111.163 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m 55.83 22.45 5.59 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.203 0.601 . . . . 3.95 112.017 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.451 ' HA ' ' HB ' ' A' ' 7' ' ' ILE . 40.8 m -90.04 67.86 7.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.119 0.485 . . . . 3.66 110.903 -174.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 33.9 mmtp -85.93 -64.7 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.939 -0.573 . . . . 5.15 109.973 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.09 -23.04 41.56 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.71 -0.478 . . . . 2.5 109.71 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' A' ' 4' ' ' SER . 53.3 mt -66.34 -23.91 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.607 -0.724 . . . . 1.84 109.414 173.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 20.3 tpt180 -69.61 -45.72 67.92 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.645 -0.707 . . . . 4.93 110.029 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.401 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.0 ttp -60.31 -42.42 95.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.16 0.505 . . . . 3.14 109.881 176.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 tp -54.15 -42.63 69.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.148 -0.933 . . . . 1.21 110.883 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -72.56 -48.27 41.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.223 -0.444 . . . . 2.02 110.899 -175.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HG2' ' HA ' ' A' ' 9' ' ' MET . 12.9 pt-20 -72.98 -6.02 42.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.401 . . . . 1.67 111.481 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -73.84 -15.27 61.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.518 0.675 . . . . 1.34 109.754 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.27 23.89 2.82 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.745 -0.741 . . . . 0.62 112.484 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -102.05 165.67 11.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.915 0.388 . . . . 0.85 111.312 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -136.86 137.63 39.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.958 -0.564 . . . . 5.19 110.089 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.1 tp -76.23 106.53 7.9 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.519 -0.548 . . . . 1.25 109.519 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 m -94.5 -37.27 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 111.821 0.304 . . . . 1.7 111.821 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -143.73 151.46 40.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 5.04 110.662 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.7 t -131.64 124.56 54.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.129 -0.487 . . . . 2.39 110.522 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 24' ' ' ALA . 32.0 p -119.89 99.42 6.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.859 0.361 . . . . 2.2 110.243 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.36 -101.04 0.71 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.588 -0.815 . . . . 1.77 111.498 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -120.41 11.45 11.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.366 0.603 . . . . 2.93 109.66 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.428 ' HB2' ' OG1' ' A' ' 21' ' ' THR . . . -90.52 113.23 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.829 -0.623 . . . . 1.43 111.01 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.437 ' O ' ' HA ' ' A' ' 37' ' ' THR . 7.9 m-70 -84.25 114.81 22.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.644 -0.707 . . . . 2.92 109.464 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -99.44 109.48 22.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.743 0.306 . . . . 4.01 110.215 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -100.82 138.32 38.03 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.108 -0.496 . . . . 2.38 111.244 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -157.02 117.82 3.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.781 -0.645 . . . . 2.44 110.947 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.418 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 14.4 t-80 -113.02 129.23 24.71 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 115.697 -0.683 . . . . 1.79 109.522 173.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 56.9 Cg_endo -67.12 68.28 0.6 Allowed 'Trans proline' 0 N--CA 1.479 0.659 0 C-N-CA 123.352 2.701 . . . . 1.67 112.337 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.0 tttp 177.41 -25.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.691 -1.14 . . . . 3.21 108.123 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 29.9 mmtp -98.25 174.18 3.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 114.758 -1.11 . . . . 3.32 110.233 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 32' ' ' LYS . 50.7 Cg_exo -59.41 -147.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.288 2.659 . . . . 2.18 114.176 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.72 -155.49 3.67 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.874 -0.603 . . . . 1.27 113.496 -176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 mp -87.68 125.87 34.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.981 0.42 . . . . 2.0 111.306 -176.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -90.84 110.52 22.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.262 -0.644 . . . . 1.19 109.262 172.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 28.9 m -106.16 108.45 19.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.215 -0.448 . . . . 1.45 110.626 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.1 t -113.14 97.59 43.11 Favored Pre-proline 0 C--N 1.324 -0.52 0 C-N-CA 121.032 -0.267 . . . . 1.87 110.735 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -97.9 96.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.172 2.581 . . . . 2.32 111.375 170.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -155.24 89.58 3.03 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.407 -0.36 . . . . 5.52 110.992 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -84.89 97.22 0.66 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.072 1.848 . . . . 4.46 111.135 173.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.585 ' HG2' ' H ' ' A' ' 43' ' ' LYS . 58.0 tttm -179.95 -170.54 0.15 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.074 -0.713 . . . . 7.22 109.074 -171.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.585 ' H ' ' HG2' ' A' ' 42' ' ' LYS . 97.5 mttt -73.76 -174.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.954 -0.387 . . . . 6.65 109.954 172.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -54.25 132.14 42.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.474 0.654 . . . . 7.11 111.427 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.6 tp -76.82 139.82 66.67 Favored Pre-proline 0 N--CA 1.436 -1.165 0 CA-C-N 115.219 -0.9 . . . . 5.92 110.545 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.91 136.17 51.56 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.589 2.193 . . . . 5.85 111.684 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.434 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 35.0 pt -64.98 -21.47 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.834 -0.621 . . . . 4.86 112.216 -172.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.65 -43.26 96.34 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.87 -0.681 . . . . 3.68 112.11 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.3 m -75.79 -28.48 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.383 0.611 . . . . 3.2 110.326 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.5 t -75.9 -24.79 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 2.08 111.144 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 10.4 mmmm -59.04 -29.19 67.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.576 0.227 . . . . 4.63 111.47 176.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 m -67.61 -35.22 78.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.309 0.576 . . . . 2.5 109.769 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.1 mt -71.7 -43.76 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.615 -0.72 . . . . 1.39 109.633 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.553 ' HA ' HE21 ' A' ' 54' ' ' GLN . 0.0 OUTLIER -62.13 -14.04 33.06 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.715 -0.675 . . . . 3.21 111.796 -177.641 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -57.46 -53.11 61.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.496 -0.557 . . . . 3.77 109.496 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.6 m -91.55 -38.91 12.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 1.79 110.883 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.76 15.29 11.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.871 -0.604 . . . . 1.24 111.871 -174.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -131.35 -61.18 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.481 -0.866 . . . . 1.75 111.68 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 119.094 -0.479 . . . . 5.65 110.151 -178.324 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 111.154 0.057 . . . . 20.6 111.154 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -128.61 138.64 52.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.022 0.439 . . . . 19.8 111.119 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 3.9 p -79.52 83.43 5.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.681 -0.691 . . . . 19.22 110.707 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -112.22 158.55 14.24 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.858 -0.687 . . . . 16.43 112.034 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 28.7 t -146.45 34.29 0.96 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.226 0.536 . . . . 14.72 109.88 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -83.5 77.81 9.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 12.81 110.331 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 88.9 mt -123.28 -92.68 0.53 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.786 -0.643 . . . . 12.32 109.79 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? 50.75 44.41 27.83 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.558 0.537 . . . . 10.64 110.998 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 p30 40.21 72.76 0.14 Allowed 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.219 0.95 . . . . 8.02 111.624 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 m -54.68 104.55 0.12 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.223 -0.899 . . . . 3.95 111.352 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.3 p -68.1 -19.17 64.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 3.66 110.785 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -46.5 -49.83 17.89 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.675 -0.693 . . . . 5.15 111.347 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.21 -43.05 92.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.328 -0.851 . . . . 2.5 111.151 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.3 mt -69.98 -41.27 79.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.029 -0.532 . . . . 1.84 110.735 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 58.6 mtp180 -65.45 -43.43 90.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.444 -0.344 . . . . 4.93 110.769 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 37.2 ttm -56.57 -46.87 80.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 3.14 110.469 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.95 -37.2 83.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.842 -1.072 . . . . 1.21 110.688 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.13 -58.66 7.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.346 -0.843 . . . . 2.02 111.036 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.1 pt-20 -70.32 -11.69 61.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 1.67 111.95 -173.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -75.73 -24.88 56.19 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.81 -0.441 . . . . 1.34 109.81 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.6 5.98 10.77 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.742 . . . . 0.62 113.643 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -79.27 141.33 37.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.202 0.501 . . . . 0.85 111.332 -177.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -113.19 151.0 31.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.783 -0.644 . . . . 5.19 110.091 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.72 108.76 4.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.332 -0.618 . . . . 1.25 109.332 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.98 -28.78 4.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.029 -0.532 . . . . 1.7 110.997 -170.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.493 ' HB3' ' HB2' ' A' ' 26' ' ' HIS . 30.8 ttm180 -138.7 118.64 13.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.758 -0.46 . . . . 5.04 109.758 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -87.2 123.99 40.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.762 -0.653 . . . . 2.39 110.323 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.607 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 26.1 m -149.99 128.27 12.09 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.649 -0.705 . . . . 2.2 109.325 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.14 -20.09 72.68 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.108 -0.568 . . . . 1.77 112.719 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.419 ' H ' HG23 ' A' ' 21' ' ' THR . 16.3 m -82.32 -33.65 28.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.731 0.301 . . . . 2.93 111.125 178.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.607 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -162.08 133.7 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.364 -0.38 . . . . 1.43 110.124 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -91.94 118.23 30.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.863 0.363 . . . . 2.92 110.03 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 90.0 m-70 -101.24 115.03 29.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 4.01 111.146 -174.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -101.1 147.54 26.11 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.663 -0.699 . . . . 2.38 110.485 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -152.0 135.67 16.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.0 0.428 . . . . 2.44 110.925 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -109.09 100.65 41.48 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.121 -1.066 . . . . 1.79 108.121 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.59 -13.11 7.35 Favored 'Trans proline' 0 N--CA 1.481 0.739 0 C-N-CA 123.645 2.897 . . . . 1.67 114.844 -169.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -78.26 -27.76 47.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.328 0.585 . . . . 3.21 109.484 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -111.37 143.24 28.06 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.471 -0.786 . . . . 3.32 110.508 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.22 60.18 7.7 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.397 2.065 . . . . 2.18 112.117 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.88 137.15 7.52 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.437 -0.887 . . . . 1.27 112.673 -177.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 tt -122.38 129.14 51.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.501 -0.555 . . . . 2.0 109.501 175.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.8 t -103.39 129.06 55.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.135 -0.484 . . . . 1.19 110.938 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.6 m -105.07 103.32 12.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.535 -0.302 . . . . 1.45 110.321 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.448 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 92.8 t -86.01 132.23 44.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 1.87 110.335 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 11.3 Cg_exo -71.86 148.45 51.93 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.503 2.136 . . . . 2.32 111.485 176.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -89.3 175.98 3.52 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.851 -0.613 . . . . 5.52 110.064 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -51.22 -177.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.744 2.296 . . . . 4.46 113.557 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm 32.77 -162.09 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.94 -0.573 . . . . 7.22 112.473 -160.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -73.98 147.62 42.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.155 0.502 . . . . 6.65 111.205 -176.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -157.14 -169.12 2.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.492 -0.776 . . . . 7.11 109.312 -172.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 95.1 mt -38.73 132.1 1.09 Allowed Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 123.604 0.761 . . . . 5.92 111.692 176.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 45' ' ' LEU . 37.2 Cg_exo -60.78 -176.17 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.61 2.873 . . . . 5.85 114.573 -176.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.92 -29.28 46.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.633 -0.712 . . . . 4.86 111.232 -175.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -53.27 -36.88 53.9 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.194 -0.526 . . . . 3.68 112.884 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.3 m -72.93 -31.53 64.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.522 . . . . 3.2 110.595 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.5 t -72.62 -33.44 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.816 -0.629 . . . . 2.08 110.488 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -62.25 -34.49 76.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.299 -0.409 . . . . 4.63 110.299 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.4 m -63.58 -33.83 76.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.983 -0.553 . . . . 2.5 110.076 175.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.3 -46.02 84.78 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.269 0 N-CA-C 109.567 -0.531 . . . . 1.39 109.567 175.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -58.1 -36.0 72.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 3.21 110.684 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HZ2' ' HB3' ' A' ' 55' ' ' LYS . 9.2 mtpm? -76.26 -52.19 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 3.77 111.864 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 m -74.02 -38.61 64.0 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.292 0.478 . . . . 1.79 112.292 -173.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.7 -27.93 19.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.913 0.387 . . . . 1.24 111.048 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.06 -41.79 6.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 1.75 112.299 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.869 -0.586 . . . . 5.65 111.056 179.289 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.4 tttm . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.155 0.503 . . . . 4.54 110.503 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.49 -18.6 63.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.813 -0.63 . . . . 2.0600000000000001 111.351 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.3 mt -66.7 -31.43 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.333 0.587 . . . . 1.3700000000000001 109.689 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 94.0 mtt180 -66.35 -35.36 80.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.72 -0.673 . . . . 4.2400000000000002 110.002 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 56.1 ttp -63.72 -35.17 79.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.565 . . . . 2.5099999999999998 110.362 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 58.4 tp -60.46 -34.24 73.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.545 -0.752 . . . . 0.64000000000000001 110.175 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -75.08 -40.91 59.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.79 -0.641 . . . . 2.02 110.29 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 43.7 mt-10 -73.95 -21.72 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.709 -0.678 . . . . 1.6699999999999999 111.726 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -72.25 -18.24 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.198 0.523 . . . . 1.3400000000000001 110.529 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.1 9.81 17.25 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.427 -0.892 . . . . 0.62 112.626 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 58.6 m95 -73.96 133.35 43.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.593 -0.521 . . . . 0.70999999999999996 109.593 176.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -117.09 140.62 49.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.014 0.435 . . . . 4.4000000000000004 110.979 -175.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.3 tp -73.16 99.7 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.342 -0.844 . . . . 0.69999999999999996 110.037 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.02 -16.32 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.856 0.36 . . . . 1.1299999999999999 111.274 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HB3' ' HB2' ' A' ' 26' ' ' HIS . 27.2 tpt180 -141.4 114.76 8.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.968 0.414 . . . . 4.4000000000000004 110.044 177.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.71 134.93 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.623 -0.717 . . . . 1.8300000000000001 110.459 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.634 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 95.1 m -143.49 154.19 43.38 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.21 -0.663 . . . . 1.8100000000000001 109.21 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.2 -56.56 5.3 Favored Glycine 0 C--N 1.334 0.432 0 O-C-N 123.6 0.562 . . . . 1.4199999999999999 113.668 -175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.595 ' O ' ' HA ' ' A' ' 39' ' ' PRO . 19.8 m -112.21 -34.23 5.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.967 0.383 . . . . 2.6600000000000001 111.509 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.634 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -88.96 115.46 26.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.303 0.573 . . . . 0.81999999999999995 112.319 -172.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 37' ' ' THR . 76.7 m80 -91.27 115.12 27.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.532 -0.758 . . . . 2.2799999999999998 109.644 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 80.1 m-70 -94.56 106.01 17.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.936 0.398 . . . . 3.2000000000000002 110.075 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.573 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 77.9 m-85 -101.15 141.86 33.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.734 -0.667 . . . . 1.46 111.983 -175.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 23.1 tptm -131.42 137.02 48.47 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.526 -0.761 . . . . 1.8 109.348 174.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -105.63 119.17 53.48 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.682 -0.488 . . . . 1.52 109.682 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.11 68.25 1.9 Allowed 'Trans proline' 0 N--CA 1.478 0.57 0 C-N-CA 123.543 2.829 . . . . 1.6699999999999999 113.029 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -177.67 -42.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.169 -0.678 . . . . 2.71 109.169 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HE2' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -112.24 139.55 22.62 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.595 -0.73 . . . . 2.8100000000000001 110.979 178.864 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.78 61.0 6.16 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.827 2.351 . . . . 1.95 112.21 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.402 ' O ' ' HD2' ' A' ' 28' ' ' LYS . . . -129.24 139.84 11.27 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.853 -0.689 . . . . 0.91000000000000003 111.931 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 27' ' ' PHE . 18.8 tp -119.28 118.03 30.16 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.752 -0.462 . . . . 1.5700000000000001 109.752 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.438 HG21 ' HB2' ' A' ' 57' ' ' ALA . 25.5 t -105.46 124.28 60.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.865 0.364 . . . . 0.48999999999999999 110.363 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.489 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 39.3 m -113.92 103.0 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.4 -0.364 . . . . 0.89000000000000001 110.749 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 53' ' ' ILE . 37.4 t -103.83 102.74 32.99 Favored Pre-proline 0 C--O 1.236 0.345 0 N-CA-C 111.938 0.347 . . . . 1.3600000000000001 111.938 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.595 ' HA ' ' O ' ' A' ' 23' ' ' SER . 8.7 Cg_exo -73.6 111.53 3.31 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.855 2.37 . . . . 1.8400000000000001 110.634 167.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.857 -0.611 . . . . 4.6500000000000004 111.673 -173.211 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.417 HD13 HG22 ' A' ' 38' ' ' VAL . 28.6 mt . . . . . 0 C--O 1.227 -0.103 0 CA-C-O 120.872 0.367 . . . . 0.81999999999999995 110.051 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -60.13 -22.49 62.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 2.71 111.846 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.87 -39.07 83.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.978 0.418 . . . . 3.2599999999999998 109.897 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.535 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 15.5 m -86.7 -34.23 19.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.089 -0.505 . . . . 1.1299999999999999 110.777 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.579 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -82.48 -30.04 30.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 1.0900000000000001 112.058 -175.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 C-N-CA 120.626 -0.797 . . . . 1.52 113.115 -175.943 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.159 0.504 . . . . 4.54 111.742 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.7 mt -66.8 -39.59 87.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.548 -0.751 . . . . 2.0600000000000001 110.806 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.4 mt -69.06 -38.01 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 1.3700000000000001 109.757 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 79.0 ttt180 -59.08 -55.43 35.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 4.2400000000000002 111.243 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.7 ptm -66.28 -25.74 67.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.194 0.521 . . . . 2.5099999999999998 110.94 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.426 HD22 HG11 ' A' ' 36' ' ' VAL . 50.4 tp -75.55 -42.38 52.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.454 -0.794 . . . . 0.64000000000000001 110.322 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.59 -37.8 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.67 -0.695 . . . . 2.02 110.728 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 48.8 mt-10 -72.42 -16.59 61.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 1.6699999999999999 111.905 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -81.05 -13.65 58.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 1.3400000000000001 110.382 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.25 24.21 8.57 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.508 -0.854 . . . . 0.62 113.551 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -83.26 172.63 12.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.954 0.377 . . . . 0.70999999999999996 110.676 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -135.63 137.09 41.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.454 -0.339 . . . . 4.4000000000000004 110.584 -177.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 25' ' ' HIS . 54.1 tp -74.31 109.05 7.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.174 -0.466 . . . . 0.69999999999999996 109.908 176.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 m -99.6 -24.96 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 112.454 0.539 . . . . 1.1299999999999999 112.454 -174.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -161.73 124.22 2.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 4.4000000000000004 111.334 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.405 ' CG2' HD21 ' A' ' 17' ' ' LEU . 39.4 t -99.91 104.58 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.276 -0.42 . . . . 1.8300000000000001 110.007 175.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -100.11 97.62 8.43 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.801 -0.444 . . . . 1.8100000000000001 109.801 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.29 -112.92 5.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.707 -0.758 . . . . 1.4199999999999999 112.012 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -99.46 -9.01 23.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.164 0.507 . . . . 2.6600000000000001 109.922 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.62 99.07 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.319 0.58 . . . . 0.81999999999999995 110.884 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.558 ' NE2' ' HB ' ' A' ' 38' ' ' VAL . 9.6 p-80 -88.94 131.6 35.07 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.891 -0.595 . . . . 2.2799999999999998 110.102 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' HB3' HD11 ' A' ' 35' ' ' LEU . 90.3 m-70 -101.11 123.4 45.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.606 -0.725 . . . . 3.2000000000000002 111.33 -174.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -101.12 135.04 43.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.692 -0.686 . . . . 1.46 110.355 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -153.69 149.37 27.45 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.911 -0.586 . . . . 1.8 109.711 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -110.49 137.94 20.83 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.712 -0.848 . . . . 1.52 108.712 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -68.83 56.31 1.0 Allowed 'Trans proline' 0 N--CA 1.476 0.477 0 C-N-CA 123.023 2.482 . . . . 1.6699999999999999 112.927 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 tptp 179.97 -26.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.451 -0.795 . . . . 2.71 109.279 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -110.08 128.51 25.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.66 -0.7 . . . . 2.8100000000000001 110.453 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -82.2 17.78 1.52 Allowed 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.829 2.353 . . . . 1.95 112.434 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.02 97.65 2.08 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.974 -0.631 . . . . 0.91000000000000003 111.873 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 26' ' ' HIS . 32.5 tp -89.9 106.12 18.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.997 0.427 . . . . 1.5700000000000001 110.107 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.716 HG13 HG23 ' A' ' 53' ' ' ILE . 53.4 t -91.65 117.35 34.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.997 -0.547 . . . . 0.48999999999999999 110.917 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.9 m -101.65 107.56 18.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.821 -0.627 . . . . 0.89000000000000001 110.29 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 16.6 t -109.69 99.66 38.95 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.653 0.263 . . . . 1.3600000000000001 110.522 177.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -91.43 151.27 3.61 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 123.47 2.78 . . . . 1.8400000000000001 112.232 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.639 -0.255 . . . . 4.6500000000000004 110.903 175.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.716 HG23 HG13 ' A' ' 36' ' ' VAL . 42.0 mt . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 110.347 -0.242 . . . . 0.81999999999999995 110.347 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -52.24 -56.57 13.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 2.71 111.533 -175.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -62.0 -25.6 67.74 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.705 0.261 . . . . 3.2599999999999998 111.705 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.4 m -86.56 -33.9 20.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.712 0.291 . . . . 1.1299999999999999 111.09 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.479 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -83.25 0.33 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.109 0.481 . . . . 1.0900000000000001 111.076 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.955 -0.641 . . . . 1.52 112.417 176.563 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.755 0.312 . . . . 4.54 111.34 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.84 -26.61 67.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.421 . . . . 2.0600000000000001 110.758 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt -80.03 -25.81 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.186 -0.461 . . . . 1.3700000000000001 110.482 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.98 -48.61 75.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.394 . . . . 4.2400000000000002 110.693 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -68.25 -23.29 64.77 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.468 0.651 . . . . 2.5099999999999998 110.342 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.3 tp -79.01 -51.9 8.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.125 -0.943 . . . . 0.64000000000000001 110.973 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.09 -39.39 85.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.524 -0.762 . . . . 2.02 111.873 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.74 -16.43 64.13 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.734 0.642 . . . . 1.6699999999999999 112.734 -173.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -75.95 -26.01 56.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.072 0.463 . . . . 1.3400000000000001 110.206 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.51 3.6 7.17 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.573 -0.822 . . . . 0.62 112.533 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.531 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 93.7 m95 -70.86 134.17 47.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 0.70999999999999996 110.387 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -117.97 149.41 40.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.032 -0.531 . . . . 4.4000000000000004 109.884 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.423 ' CD2' HG22 ' A' ' 20' ' ' VAL . 54.6 tp -75.51 109.79 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.085 -0.507 . . . . 0.69999999999999996 110.226 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 m -94.38 -38.39 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.459 -0.337 . . . . 1.1299999999999999 111.428 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.489 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 5.1 mmp_? -120.68 113.35 20.08 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.753 0.311 . . . . 4.4000000000000004 110.352 178.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' A' ' 17' ' ' LEU . 27.8 t -88.25 103.19 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.97 -0.559 . . . . 1.8300000000000001 110.287 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 22.9 m -117.81 132.77 56.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.842 -0.617 . . . . 1.8100000000000001 109.817 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.17 55.04 3.57 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.339 -0.458 . . . . 1.4199999999999999 113.302 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 p -167.92 -55.05 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.144 -0.687 . . . . 2.6600000000000001 109.144 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' A' ' 39' ' ' PRO . . . -132.85 128.11 35.93 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.984 -1.007 . . . . 0.81999999999999995 110.032 176.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.422 ' HB2' HG23 ' A' ' 38' ' ' VAL . 37.0 m170 -87.06 131.93 33.97 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.085 -0.507 . . . . 2.2799999999999998 110.001 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.489 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 73.9 m80 -105.84 114.39 28.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 3.2000000000000002 109.974 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.444 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.5 m-85 -102.68 142.79 33.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.646 -0.706 . . . . 1.46 111.381 -177.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -157.11 134.95 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.519 -0.764 . . . . 1.8 110.083 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -111.06 129.46 23.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.213 -0.662 . . . . 1.52 109.213 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -71.37 51.9 1.48 Allowed 'Trans proline' 0 N--CA 1.481 0.764 0 C-N-CA 123.675 2.917 . . . . 1.6699999999999999 113.73 -175.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -161.22 -41.0 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.361 -0.381 . . . . 2.71 110.126 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -107.99 127.52 27.48 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.378 -0.374 . . . . 2.8100000000000001 110.378 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.78 138.47 37.81 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.734 2.289 . . . . 1.95 112.575 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.26 141.71 3.8 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.821 -0.705 . . . . 0.91000000000000003 111.906 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.2 tp -119.16 114.4 22.39 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.7 -0.482 . . . . 1.5700000000000001 109.7 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.837 HG13 HG23 ' A' ' 53' ' ' ILE . 42.0 t -95.2 122.18 46.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.053 -0.521 . . . . 0.48999999999999999 110.718 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.4 m -111.01 100.03 8.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.944 -0.571 . . . . 0.89000000000000001 110.36 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.422 HG23 ' HB2' ' A' ' 25' ' ' HIS . 2.7 m -103.88 109.3 62.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 121.132 0.492 . . . . 1.3600000000000001 110.898 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 83.6 Cg_endo -85.15 148.81 10.51 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.952 2.435 . . . . 1.8400000000000001 112.682 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.2 m170 . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 115.792 -0.64 . . . . 4.6500000000000004 109.921 175.091 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.837 HG23 HG13 ' A' ' 36' ' ' VAL . 44.2 mt . . . . . 0 CA--C 1.519 -0.215 0 N-CA-C 109.399 -0.593 . . . . 0.81999999999999995 109.399 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.17 -36.43 79.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.58 -0.736 . . . . 2.71 111.103 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.71 -30.45 64.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.367 -0.378 . . . . 3.2599999999999998 111.235 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -86.24 -41.4 14.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.974 0.416 . . . . 1.1299999999999999 110.949 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.531 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -82.29 -31.4 30.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.993 -0.549 . . . . 1.0900000000000001 112.243 -174.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.268 -0.967 . . . . 1.52 113.04 -176.184 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.654 0.264 . . . . 4.54 110.78 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.57 -49.69 75.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 2.0600000000000001 110.701 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.3 mm -70.34 -36.66 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 1.3700000000000001 110.055 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.546 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 32.8 tpt180 -61.93 -49.71 75.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.072 -0.513 . . . . 4.2400000000000002 110.744 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 tpt -57.42 -44.92 85.04 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.344 0.593 . . . . 2.5099999999999998 110.549 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.79 -35.05 78.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.969 -1.014 . . . . 0.64000000000000001 110.379 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -71.76 -41.88 67.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.237 -0.892 . . . . 2.02 110.9 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 41.8 mt-10 -67.39 -33.89 76.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.912 -0.585 . . . . 1.6699999999999999 112.164 -175.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.73 -22.37 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 1.3400000000000001 110.582 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.48 25.35 2.93 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.3 -0.952 . . . . 0.62 113.343 175.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.455 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 68.0 m95 -100.08 139.41 35.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.959 0.379 . . . . 0.70999999999999996 110.661 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -127.37 157.93 38.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.172 -0.467 . . . . 4.4000000000000004 109.995 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 25' ' ' HIS . 57.8 tp -70.98 125.34 26.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.692 -0.685 . . . . 0.69999999999999996 111.046 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.4 m -113.76 -36.57 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.768 0.285 . . . . 1.1299999999999999 111.768 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -143.17 141.95 31.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 4.4000000000000004 110.89 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.406 ' CG2' HD21 ' A' ' 17' ' ' LEU . 41.1 t -121.32 125.75 74.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.403 -0.362 . . . . 1.8300000000000001 110.601 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.1 p -125.14 100.88 6.75 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.753 -0.462 . . . . 1.8100000000000001 109.753 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.24 -112.99 5.44 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.137 -0.554 . . . . 1.4199999999999999 112.012 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 m -106.09 -0.12 25.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.038 0.447 . . . . 2.6600000000000001 110.375 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.53 120.25 36.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.995 -0.548 . . . . 0.81999999999999995 110.377 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.436 ' HB3' HD13 ' A' ' 17' ' ' LEU . 12.1 m170 -100.05 127.37 46.28 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.899 -0.591 . . . . 2.2799999999999998 110.244 -177.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.521 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 71.5 m-70 -99.42 121.74 41.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.101 0.477 . . . . 3.2000000000000002 110.107 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 25.0 m-85 -108.25 144.22 36.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.394 -0.821 . . . . 1.46 110.055 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -157.66 125.09 5.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.55 0.691 . . . . 1.8 111.62 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -112.41 112.05 51.99 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 114.761 -1.108 . . . . 1.52 108.649 176.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.16 -11.58 13.34 Favored 'Trans proline' 0 N--CA 1.478 0.597 0 C-N-CA 123.282 2.655 . . . . 1.6699999999999999 114.609 -171.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -85.79 -30.71 22.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 2.71 110.214 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -110.6 120.02 44.95 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 2.8100000000000001 110.114 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.24 84.69 0.45 Allowed 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.702 2.268 . . . . 1.95 112.891 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.44 147.26 13.53 Favored Glycine 0 N--CA 1.439 -1.129 0 C-N-CA 120.247 -0.978 . . . . 0.91000000000000003 112.43 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.0 tp -122.54 114.66 20.97 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.356 -0.609 . . . . 1.5700000000000001 109.356 172.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.765 HG13 HG23 ' A' ' 53' ' ' ILE . 40.9 t -100.97 135.71 35.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.114 -0.494 . . . . 0.48999999999999999 110.945 -177.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.8 m -124.12 99.08 6.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.251 -0.431 . . . . 0.89000000000000001 109.867 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG12 HD13 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -99.67 112.93 64.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.526 . . . . 1.3600000000000001 111.549 -179.368 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -88.35 149.84 6.56 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.15 2.567 . . . . 1.8400000000000001 111.715 174.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 116.336 -0.393 . . . . 4.6500000000000004 110.321 178.895 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.765 HG23 HG13 ' A' ' 36' ' ' VAL . 57.1 mt . . . . . 0 CA--C 1.519 -0.247 0 N-CA-C 109.982 -0.377 . . . . 0.81999999999999995 109.982 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -59.42 -36.48 75.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 2.71 111.132 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -59.79 -48.13 82.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.969 -0.559 . . . . 3.2599999999999998 110.623 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -79.74 -46.53 16.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.087 -0.506 . . . . 1.1299999999999999 111.656 -175.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.521 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -70.57 -28.74 65.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.906 0.384 . . . . 1.0900000000000001 111.357 -177.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 C-N-CA 120.731 -0.747 . . . . 1.52 112.508 -179.371 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.4 tmtt? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.757 0.313 . . . . 4.54 110.785 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.51 -37.73 68.28 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.972 -0.381 . . . . 2.0600000000000001 109.972 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.45 -36.56 75.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 1.3700000000000001 109.79 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 55.6 ttp180 -59.62 -48.59 81.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.522 -0.763 . . . . 4.2400000000000002 110.572 177.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.5 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 59.7 mtp -61.35 -49.17 78.03 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.285 0.564 . . . . 2.5099999999999998 109.797 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.0 tp -52.27 -32.86 39.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.554 -1.203 . . . . 0.64000000000000001 110.847 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -80.61 -53.35 6.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.054 -0.521 . . . . 2.02 110.849 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 10.6 pt-20 -72.84 -13.32 61.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.387 -0.37 . . . . 1.6699999999999999 111.568 -176.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.23 -24.4 67.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.106 0.479 . . . . 1.3400000000000001 110.068 175.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.1 -8.01 7.61 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.646 -0.788 . . . . 0.62 112.901 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.546 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 84.7 m95 -65.07 135.78 55.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.958 0.408 . . . . 0.70999999999999996 109.986 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -109.28 142.92 39.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.331 -0.395 . . . . 4.4000000000000004 110.553 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.502 HD11 ' HB ' ' A' ' 20' ' ' VAL . 43.3 tp -74.25 99.38 3.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.746 -0.464 . . . . 0.69999999999999996 109.746 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 m -93.98 -33.39 5.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.251 -0.431 . . . . 1.1299999999999999 111.045 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -141.84 137.27 31.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.405 -0.361 . . . . 4.4000000000000004 110.069 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.502 ' HB ' HD11 ' A' ' 17' ' ' LEU . 1.4 p -140.12 106.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.471 0.653 . . . . 1.8300000000000001 110.421 177.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 p -111.92 98.79 7.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.718 -0.674 . . . . 1.8100000000000001 110.726 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.49 -126.6 19.09 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.815 -0.707 . . . . 1.4199999999999999 111.975 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -82.73 -32.78 27.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.928 0.394 . . . . 2.6600000000000001 110.641 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.9 117.93 23.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.155 -0.475 . . . . 0.81999999999999995 110.7 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.425 ' HB2' HD11 ' A' ' 17' ' ' LEU . 9.3 p80 -123.72 135.71 54.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.134 -0.485 . . . . 2.2799999999999998 111.394 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.607 ' NE2' ' HB2' ' A' ' 28' ' ' LYS . 2.2 t-160 -97.14 125.15 41.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.531 -0.759 . . . . 3.2000000000000002 111.428 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.536 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 42.4 m-85 -100.76 134.93 43.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.761 -1.109 . . . . 1.46 109.88 174.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.607 ' HB2' ' NE2' ' A' ' 26' ' ' HIS . 85.9 tttt -148.38 133.27 18.06 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.304 -0.407 . . . . 1.8 110.03 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.463 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 18.6 t-80 -109.79 127.6 26.85 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.571 -0.9 . . . . 1.52 108.571 176.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 56.8 Cg_endo -67.27 58.09 0.64 Allowed 'Trans proline' 0 N--CA 1.481 0.766 0 C-N-CA 123.505 2.803 . . . . 1.6699999999999999 113.416 -176.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -176.2 -28.03 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.428 -0.805 . . . . 2.71 108.984 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -101.23 120.18 55.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 2.8100000000000001 110.325 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -76.6 111.9 3.34 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.046 1.831 . . . . 1.95 111.273 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.24 145.53 4.97 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.073 -1.06 . . . . 0.91000000000000003 112.668 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.573 HD12 ' NE2' ' A' ' 26' ' ' HIS . 9.1 tp -111.2 99.12 8.01 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.953 -0.388 . . . . 1.5700000000000001 109.953 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.617 HG13 HG23 ' A' ' 53' ' ' ILE . 68.8 t -98.3 99.3 8.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.82 -0.437 . . . . 0.48999999999999999 109.82 176.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 28.1 m -111.07 102.99 11.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.216 -0.447 . . . . 0.89000000000000001 109.962 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.2 t -103.04 114.49 65.16 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.217 -0.447 . . . . 1.3600000000000001 110.937 -175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -89.61 150.07 5.17 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.056 2.504 . . . . 1.8400000000000001 111.856 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.7 p80 . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.389 0.614 . . . . 4.6500000000000004 110.714 177.915 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.617 HG23 HG13 ' A' ' 36' ' ' VAL . 24.6 mt . . . . . 0 CA--C 1.522 -0.113 0 N-CA-C 109.964 -0.384 . . . . 0.81999999999999995 109.964 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -56.82 -43.22 80.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 2.71 110.702 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.78 -44.81 88.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.918 -0.583 . . . . 3.2599999999999998 111.053 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 t -69.75 -38.07 76.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.432 . . . . 1.1299999999999999 111.059 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -80.78 -30.6 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.856 0.36 . . . . 1.0900000000000001 111.611 -177.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.847 -0.692 . . . . 1.52 112.195 179.584 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.481 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 46.9 pttt . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 112.046 0.387 . . . . 4.54 112.046 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.481 ' H ' ' HG3' ' A' ' 5' ' ' LYS . 89.9 mt -78.46 -36.48 45.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.661 0.267 . . . . 2.0600000000000001 110.489 -178.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mt -58.69 -37.53 66.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.98 -0.554 . . . . 1.3700000000000001 110.712 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 6.6 tpm_? -56.48 -56.28 23.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.61 -0.723 . . . . 4.2400000000000002 111.011 178.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 21.5 ptt? -69.83 -31.58 69.53 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.986 -0.376 . . . . 2.5099999999999998 109.986 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.47 -51.71 66.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.774 -0.648 . . . . 0.64000000000000001 111.168 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.43 -38.39 90.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.859 -0.61 . . . . 2.02 112.136 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 12.4 pt-20 -90.65 -6.51 54.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.877 0.325 . . . . 1.6699999999999999 111.877 -175.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' ' 9' ' ' MET . 16.5 t70 -80.61 -25.43 38.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.018 0.437 . . . . 1.3400000000000001 109.987 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.9 0.99 7.61 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.526 -0.845 . . . . 0.62 113.278 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.401 ' HZ3' ' O ' ' A' ' 34' ' ' GLY . 69.5 m95 -75.24 134.03 41.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.068 0.434 . . . . 0.70999999999999996 110.159 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -110.75 145.52 37.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.261 -0.427 . . . . 4.4000000000000004 110.591 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.59 104.83 5.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.207 -0.664 . . . . 0.69999999999999996 109.207 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.24 -19.26 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.351 -0.386 . . . . 1.1299999999999999 111.411 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -147.18 124.3 11.44 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.96 -0.385 . . . . 4.4000000000000004 109.96 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -87.11 98.65 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.919 -0.582 . . . . 1.8300000000000001 110.036 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.691 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 5.5 m -114.04 118.04 32.97 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.302 -0.863 . . . . 1.8100000000000001 109.306 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.5 84.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.217 -0.516 . . . . 1.4199999999999999 112.387 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -63.27 -49.58 73.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.913 0.387 . . . . 2.6600000000000001 110.142 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.691 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -156.75 122.43 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.838 -0.619 . . . . 0.81999999999999995 110.154 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -69.6 133.07 47.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.257 -0.429 . . . . 2.2799999999999998 110.607 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.422 ' HB3' HD11 ' A' ' 35' ' ' LEU . 61.0 m80 -106.57 106.98 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 3.2000000000000002 110.947 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.405 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . 57.8 m-85 -101.6 149.68 23.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.577 -0.738 . . . . 1.46 110.833 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -151.57 141.29 21.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.781 -0.645 . . . . 1.8 109.898 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -90.53 128.77 47.48 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.958 -0.756 . . . . 1.52 108.958 176.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -67.98 61.42 0.96 Allowed 'Trans proline' 0 N--CA 1.478 0.599 0 C-N-CA 123.419 2.746 . . . . 1.6699999999999999 113.296 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -175.36 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.495 -0.557 . . . . 2.71 109.495 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -108.31 133.71 20.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.71 -0.677 . . . . 2.8100000000000001 110.654 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.22 51.51 2.88 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 123.198 2.598 . . . . 1.95 112.562 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' O ' ' HZ3' ' A' ' 15' ' ' TRP . . . -103.9 129.33 9.82 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.978 -0.849 . . . . 0.91000000000000003 110.978 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 26' ' ' HIS . 26.2 tp -111.59 111.87 23.18 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.853 0.359 . . . . 1.5700000000000001 110.67 -177.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.643 HG13 HG23 ' A' ' 53' ' ' ILE . 24.0 t -91.83 127.44 44.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.974 -0.557 . . . . 0.48999999999999999 110.04 177.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.407 HG22 ' HB1' ' A' ' 24' ' ' ALA . 6.9 m -112.62 101.34 9.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.167 -0.47 . . . . 0.89000000000000001 110.438 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t -99.74 122.55 50.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.326 -0.397 . . . . 1.3600000000000001 111.911 -173.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.57 149.87 44.68 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.749 2.299 . . . . 1.8400000000000001 111.819 175.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.274 -0.421 . . . . 4.6500000000000004 111.208 -176.78 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.643 HG23 HG13 ' A' ' 36' ' ' VAL . 28.1 mt . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 109.045 -0.724 . . . . 0.81999999999999995 109.045 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -60.08 -31.74 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.509 -0.769 . . . . 2.71 110.476 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -66.0 -59.46 3.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 3.2599999999999998 111.113 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 m -76.61 -48.92 17.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.23 0.455 . . . . 1.1299999999999999 112.23 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.515 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -82.37 -24.42 34.49 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.764 0.283 . . . . 1.0900000000000001 111.764 -174.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.566 -0.826 . . . . 1.52 112.804 -176.761 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 120.741 0.305 . . . . 4.54 111.382 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.3 -18.61 64.76 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.324 0.49 . . . . 2.0600000000000001 112.324 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.403 HG13 ' H ' ' A' ' 7' ' ' ILE . 4.9 mt -55.12 -32.32 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 1.3700000000000001 111.117 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 26.1 mmm180 -64.07 -44.5 92.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.361 -0.382 . . . . 4.2400000000000002 111.131 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.1 tpt -64.3 -38.6 91.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.999 0.428 . . . . 2.5099999999999998 110.638 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.7 tp -64.86 -29.03 69.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.669 -0.696 . . . . 0.64000000000000001 110.205 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -73.75 -45.91 49.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.415 -0.811 . . . . 2.02 109.904 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 36.3 mt-10 -70.48 -23.75 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.686 -0.688 . . . . 1.6699999999999999 111.346 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.68 -26.28 61.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.397 -0.365 . . . . 1.3400000000000001 110.578 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.51 22.63 5.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.421 -0.895 . . . . 0.62 113.676 174.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.641 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 52.2 m95 -90.76 131.0 36.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.12 0.46 . . . . 0.70999999999999996 110.42 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -110.25 147.18 34.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.871 -0.604 . . . . 4.4000000000000004 110.525 -172.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.8 tp -70.77 99.41 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.69999999999999996 110.32 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' A' ' 28' ' ' LYS . 21.4 m -94.68 -24.04 4.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.825 -0.625 . . . . 1.1299999999999999 111.738 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -150.5 131.95 14.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.04 0.448 . . . . 4.4000000000000004 111.066 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -100.05 149.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.895 -0.593 . . . . 1.8300000000000001 110.785 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.501 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 4.2 m -136.3 159.73 40.85 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.605 -0.887 . . . . 1.8100000000000001 108.605 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.07 -51.88 7.15 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 114.474 0.55 . . . . 1.4199999999999999 114.474 -174.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -107.1 -45.52 4.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 117.303 0.551 . . . . 2.6600000000000001 111.299 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.501 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -109.45 163.53 13.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.844 0.354 . . . . 0.81999999999999995 111.139 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -120.52 143.99 48.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.589 -0.278 . . . . 2.2799999999999998 110.685 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.483 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 7.4 t-80 -98.89 130.98 45.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.447 0.642 . . . . 3.2000000000000002 111.45 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.413 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 65.3 m-85 -110.9 140.82 45.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.909 -1.041 . . . . 1.46 110.381 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB3' HG21 ' A' ' 18' ' ' VAL . 37.6 ttmt -149.16 136.71 20.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.147 0.499 . . . . 1.8 110.503 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.411 ' C ' ' H ' ' A' ' 31' ' ' LYS . 69.8 t60 -106.1 131.54 21.64 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 107.975 -1.12 . . . . 1.52 107.975 175.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -67.61 36.53 0.16 Allowed 'Trans proline' 0 N--CA 1.483 0.869 0 C-N-CA 123.471 2.781 . . . . 1.6699999999999999 113.995 -175.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 29' ' ' HIS . 72.8 mmtt -140.77 -38.9 0.42 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.787 -0.82 . . . . 2.71 108.787 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -111.05 111.14 56.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.251 -0.886 . . . . 2.8100000000000001 110.086 176.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.79 50.07 2.65 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.97 2.447 . . . . 1.95 112.804 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.49 148.86 18.46 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.934 -0.651 . . . . 0.91000000000000003 111.868 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.464 HD12 ' NE2' ' A' ' 26' ' ' HIS . 2.7 tp -101.75 98.74 8.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.021 0.439 . . . . 1.5700000000000001 109.95 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.716 HG13 HG23 ' A' ' 53' ' ' ILE . 42.0 t -90.69 117.25 33.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.065 -0.516 . . . . 0.48999999999999999 109.657 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 m -112.18 103.95 12.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.326 -0.397 . . . . 0.89000000000000001 110.124 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.7 t -104.17 119.51 53.9 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 1.3600000000000001 111.975 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.07 154.34 25.44 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 123.761 2.974 . . . . 1.8400000000000001 111.318 171.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.2 m80 . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 108.593 -0.892 . . . . 4.6500000000000004 108.593 -178.078 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.716 HG23 HG13 ' A' ' 36' ' ' VAL . 12.4 mt . . . . . 0 C--O 1.224 -0.246 0 N-CA-C 109.702 -0.481 . . . . 0.81999999999999995 109.702 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -67.1 -23.15 65.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.954 -0.566 . . . . 2.71 111.434 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -81.21 -50.95 8.95 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.759 -0.459 . . . . 3.2599999999999998 109.759 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.9 t -58.91 -43.08 91.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.03 -0.532 . . . . 1.1299999999999999 110.058 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -93.33 21.62 5.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.759 -0.655 . . . . 1.0900000000000001 110.839 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.684 0 C-N-CA 120.663 -0.779 . . . . 1.52 112.848 -178.721 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 5' ' ' LYS . 28.6 mmtp . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.698 0.285 . . . . 4.54 111.286 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.15 -32.95 71.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.488 -0.56 . . . . 2.0600000000000001 109.488 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mt -64.15 -34.7 70.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.302 -0.863 . . . . 1.3700000000000001 111.017 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -65.67 -47.62 74.88 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.339 -0.615 . . . . 4.2400000000000002 109.339 178.196 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.9 tpt -57.51 -48.02 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.813 -0.631 . . . . 2.5099999999999998 110.422 175.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.04 -40.89 67.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.023 -0.989 . . . . 0.64000000000000001 111.064 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -72.54 -44.76 61.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.864 -0.607 . . . . 2.02 111.035 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.0 pt-20 -75.24 -17.99 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.471 -0.331 . . . . 1.6699999999999999 111.692 -176.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.6 -18.23 61.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.956 0.408 . . . . 1.3400000000000001 110.512 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.46 -5.41 8.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.508 -0.853 . . . . 0.62 113.348 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -72.47 146.45 46.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.991 0.424 . . . . 0.70999999999999996 110.919 -177.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 3.8 mmp_? -114.78 139.11 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.127 -0.488 . . . . 4.4000000000000004 110.946 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.429 HD21 HG12 ' A' ' 20' ' ' VAL . 54.6 tp -73.09 96.65 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.164 -0.68 . . . . 0.69999999999999996 109.164 173.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.4 m -98.48 -20.87 5.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.961 -0.563 . . . . 1.1299999999999999 112.046 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' HB3' ' A' ' 26' ' ' HIS . 31.6 tpt180 -143.35 119.6 10.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.859 0.362 . . . . 4.4000000000000004 110.573 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.429 HG12 HD21 ' A' ' 17' ' ' LEU . 33.9 m -94.98 146.25 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.991 -0.55 . . . . 1.8300000000000001 110.961 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.643 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 8.3 m -149.95 158.61 44.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.125 -1.065 . . . . 1.8100000000000001 108.125 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.43 -66.24 2.51 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 121.356 -0.45 . . . . 1.4199999999999999 114.065 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 p -87.48 -37.41 16.98 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.353 0.501 . . . . 2.6600000000000001 112.353 -174.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.643 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -121.61 151.69 40.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.81999999999999995 111.815 -174.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -122.13 132.7 54.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.111 -0.495 . . . . 2.2799999999999998 110.07 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.547 ' NE2' HD12 ' A' ' 35' ' ' LEU . 7.2 t-80 -94.5 126.68 39.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.511 0.672 . . . . 3.2000000000000002 111.122 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -110.48 141.89 42.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.757 -1.11 . . . . 1.46 110.042 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -151.32 143.1 23.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.809 -0.632 . . . . 1.8 109.33 -178.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -102.42 129.31 26.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.228 -0.656 . . . . 1.52 109.228 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.46 50.98 1.06 Allowed 'Trans proline' 0 N--CA 1.478 0.564 0 C-N-CA 123.471 2.781 . . . . 1.6699999999999999 113.564 -176.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -166.58 -47.85 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.204 0.526 . . . . 2.71 109.749 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.75 132.99 20.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.638 -0.71 . . . . 2.8100000000000001 109.74 177.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -74.0 155.08 47.98 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.481 2.12 . . . . 1.95 111.856 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.22 129.33 1.3 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.773 -0.727 . . . . 0.91000000000000003 111.911 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.547 HD12 ' NE2' ' A' ' 26' ' ' HIS . 3.8 tp -99.54 98.5 9.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.877 0.37 . . . . 1.5700000000000001 110.142 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.844 HG13 HG23 ' A' ' 53' ' ' ILE . 38.6 t -91.38 99.66 10.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.285 -0.635 . . . . 0.48999999999999999 109.285 173.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.547 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 21.2 m -105.37 99.92 9.51 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.923 -0.58 . . . . 0.89000000000000001 109.887 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.414 HG22 HD13 ' A' ' 53' ' ' ILE . 22.4 t -95.28 106.72 27.88 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 116.11 -0.495 . . . . 1.3600000000000001 111.312 -175.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.547 ' HD3' ' O ' ' A' ' 37' ' ' THR . 1.4 Cg_endo -84.16 134.23 5.91 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.957 2.438 . . . . 1.8400000000000001 111.771 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.2 m80 . . . . . 0 C--N 1.319 -0.751 0 CA-C-N 116.063 -0.517 . . . . 4.6500000000000004 110.336 178.789 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.844 HG23 HG13 ' A' ' 36' ' ' VAL . 42.8 mt . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 121.003 0.43 . . . . 0.81999999999999995 110.315 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -61.72 -24.01 66.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.559 -0.746 . . . . 2.71 111.301 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -86.73 -52.8 5.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.549 -0.751 . . . . 3.2599999999999998 111.05 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.9 m -62.1 -39.84 93.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 1.1299999999999999 110.709 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.34 20.99 12.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.949 -0.569 . . . . 1.0900000000000001 110.562 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.743 0 C-N-CA 121.052 -0.594 . . . . 1.52 111.894 179.373 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 33.9 mmtp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.973 -0.38 . . . . 4.54 109.973 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.09 -23.04 41.56 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.71 -0.478 . . . . 2.0600000000000001 109.71 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.34 -23.91 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.607 -0.724 . . . . 1.3700000000000001 109.414 173.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 20.3 tpt180 -69.61 -45.72 67.92 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.645 -0.707 . . . . 4.2400000000000002 110.029 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.411 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.0 ttp -60.31 -42.42 95.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.16 0.505 . . . . 2.5099999999999998 109.881 176.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 tp -54.15 -42.63 69.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.148 -0.933 . . . . 0.64000000000000001 110.883 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -72.56 -48.27 41.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.223 -0.444 . . . . 2.02 110.899 -175.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 9' ' ' MET . 12.9 pt-20 -72.98 -6.02 42.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.401 . . . . 1.6699999999999999 111.481 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -73.84 -15.27 61.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.518 0.675 . . . . 1.3400000000000001 109.754 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.27 23.89 2.82 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.745 -0.741 . . . . 0.62 112.484 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 82.5 m95 -102.05 165.67 11.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.915 0.388 . . . . 0.70999999999999996 111.312 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -136.86 137.63 39.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.958 -0.564 . . . . 4.4000000000000004 110.089 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.1 tp -76.23 106.53 7.9 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.519 -0.548 . . . . 0.69999999999999996 109.519 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 m -94.5 -37.27 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 111.821 0.304 . . . . 1.1299999999999999 111.821 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -143.73 151.46 40.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 4.4000000000000004 110.662 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.7 t -131.64 124.56 54.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.129 -0.487 . . . . 1.8300000000000001 110.522 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.421 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 32.0 p -119.89 99.42 6.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.859 0.361 . . . . 1.8100000000000001 110.243 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.36 -101.04 0.71 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.588 -0.815 . . . . 1.4199999999999999 111.498 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -120.41 11.45 11.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.366 0.603 . . . . 2.6600000000000001 109.66 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HB3' ' OG1' ' A' ' 21' ' ' THR . . . -90.52 113.23 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.829 -0.623 . . . . 0.81999999999999995 111.01 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 37' ' ' THR . 3.0 m80 -84.25 114.81 22.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.644 -0.707 . . . . 2.2799999999999998 109.464 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -99.44 109.48 22.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.743 0.306 . . . . 3.2000000000000002 110.215 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 49.9 m-85 -100.82 138.32 38.03 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.108 -0.496 . . . . 1.46 111.244 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HD2' HD11 ' A' ' 35' ' ' LEU . 82.5 tttt -157.02 117.82 3.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.781 -0.645 . . . . 1.8 110.947 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.417 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 14.4 t-80 -113.02 129.23 24.71 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 115.697 -0.683 . . . . 1.52 109.522 173.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 56.9 Cg_endo -67.12 68.28 0.6 Allowed 'Trans proline' 0 N--CA 1.479 0.659 0 C-N-CA 123.352 2.701 . . . . 1.6699999999999999 112.337 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.0 tttp 177.41 -25.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.691 -1.14 . . . . 2.71 108.123 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 29.9 mmtp -98.25 174.18 3.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 114.758 -1.11 . . . . 2.8100000000000001 110.233 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 32' ' ' LYS . 50.7 Cg_exo -59.41 -147.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.288 2.659 . . . . 1.95 114.176 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.72 -155.49 3.67 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.874 -0.603 . . . . 0.91000000000000003 113.496 -176.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.441 HD11 ' HD2' ' A' ' 28' ' ' LYS . 11.2 mp -87.68 125.87 34.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.981 0.42 . . . . 1.5700000000000001 111.306 -176.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.515 HG21 ' HB2' ' A' ' 57' ' ' ALA . 38.4 t -90.84 110.52 22.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.262 -0.644 . . . . 0.48999999999999999 109.262 172.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 28.9 m -106.16 108.45 19.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.215 -0.448 . . . . 0.89000000000000001 110.626 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.1 t -113.14 97.59 43.11 Favored Pre-proline 0 C--N 1.324 -0.52 0 C-N-CA 121.032 -0.267 . . . . 1.3600000000000001 110.735 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 15.3 Cg_endo -97.9 96.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.172 2.581 . . . . 1.8400000000000001 111.375 170.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 116.407 -0.36 . . . . 4.6500000000000004 110.992 -178.687 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.46 HG23 HG13 ' A' ' 36' ' ' VAL . 20.1 mt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.633 -0.506 . . . . 0.81999999999999995 109.633 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -62.13 -14.04 33.06 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.715 -0.675 . . . . 2.71 111.796 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -57.46 -53.11 61.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.496 -0.557 . . . . 3.2599999999999998 109.496 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.6 m -91.55 -38.91 12.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 1.1299999999999999 110.883 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.515 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -90.76 15.29 11.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.871 -0.604 . . . . 1.0900000000000001 111.871 -174.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.876 0 C-N-CA 120.481 -0.866 . . . . 1.52 111.68 179.593 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 121.132 0.491 . . . . 4.54 111.347 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.21 -43.05 92.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.328 -0.851 . . . . 2.0600000000000001 111.151 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.506 HG12 HG11 ' A' ' 38' ' ' VAL . 77.3 mt -69.98 -41.27 79.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.029 -0.532 . . . . 1.3700000000000001 110.735 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 58.6 mtp180 -65.45 -43.43 90.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.444 -0.344 . . . . 4.2400000000000002 110.769 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 37.2 ttm -56.57 -46.87 80.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 2.5099999999999998 110.469 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.95 -37.2 83.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.842 -1.072 . . . . 0.64000000000000001 110.688 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.13 -58.66 7.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.346 -0.843 . . . . 2.02 111.036 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.1 pt-20 -70.32 -11.69 61.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 1.6699999999999999 111.95 -173.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -75.73 -24.88 56.19 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.81 -0.441 . . . . 1.3400000000000001 109.81 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.6 5.98 10.77 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.742 . . . . 0.62 113.643 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -79.27 141.33 37.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.202 0.501 . . . . 0.70999999999999996 111.332 -177.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -113.19 151.0 31.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.783 -0.644 . . . . 4.4000000000000004 110.091 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.72 108.76 4.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.332 -0.618 . . . . 0.69999999999999996 109.332 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -93.98 -28.78 4.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.029 -0.532 . . . . 1.1299999999999999 110.997 -170.901 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.517 ' HB3' ' HB2' ' A' ' 26' ' ' HIS . 30.8 ttm180 -138.7 118.64 13.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.758 -0.46 . . . . 4.4000000000000004 109.758 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -87.2 123.99 40.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.762 -0.653 . . . . 1.8300000000000001 110.323 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.617 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 26.1 m -149.99 128.27 12.09 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.649 -0.705 . . . . 1.8100000000000001 109.325 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.14 -20.09 72.68 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.108 -0.568 . . . . 1.4199999999999999 112.719 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.489 ' H ' HG22 ' A' ' 21' ' ' THR . 16.3 m -82.32 -33.65 28.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.731 0.301 . . . . 2.6600000000000001 111.125 178.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.617 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -162.08 133.7 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.364 -0.38 . . . . 0.81999999999999995 110.124 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -91.94 118.23 30.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.863 0.363 . . . . 2.2799999999999998 110.03 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 90.0 m-70 -101.24 115.03 29.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 3.2000000000000002 111.146 -174.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -101.1 147.54 26.11 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.663 -0.699 . . . . 1.46 110.485 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HB3' HG21 ' A' ' 18' ' ' VAL . 87.3 tttt -152.0 135.67 16.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.0 0.428 . . . . 1.8 110.925 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -109.09 100.65 41.48 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.121 -1.066 . . . . 1.52 108.121 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.59 -13.11 7.35 Favored 'Trans proline' 0 N--CA 1.481 0.739 0 C-N-CA 123.645 2.897 . . . . 1.6699999999999999 114.844 -169.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -78.26 -27.76 47.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.328 0.585 . . . . 2.71 109.484 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -111.37 143.24 28.06 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.471 -0.786 . . . . 2.8100000000000001 110.508 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.22 60.18 7.7 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.397 2.065 . . . . 1.95 112.117 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.88 137.15 7.52 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.437 -0.887 . . . . 0.91000000000000003 112.673 -177.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 tt -122.38 129.14 51.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.501 -0.555 . . . . 1.5700000000000001 109.501 175.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 57' ' ' ALA . 54.8 t -103.39 129.06 55.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.135 -0.484 . . . . 0.48999999999999999 110.938 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.6 m -105.07 103.32 12.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.535 -0.302 . . . . 0.89000000000000001 110.321 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.506 HG11 HG12 ' A' ' 7' ' ' ILE . 92.8 t -86.01 132.23 44.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 1.3600000000000001 110.335 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 11.3 Cg_exo -71.86 148.45 51.93 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.503 2.136 . . . . 1.8400000000000001 111.485 176.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.851 -0.613 . . . . 4.6500000000000004 110.064 -175.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.441 HG23 ' CG1' ' A' ' 36' ' ' VAL . 14.8 mt . . . . . 0 C--O 1.224 -0.269 0 N-CA-C 109.567 -0.531 . . . . 0.81999999999999995 109.567 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -58.1 -36.0 72.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 2.71 110.684 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' A' ' 55' ' ' LYS . 9.2 mtpm? -76.26 -52.19 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 3.2599999999999998 111.864 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 m -74.02 -38.61 64.0 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.292 0.478 . . . . 1.1299999999999999 112.292 -173.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -89.7 -27.93 19.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.913 0.387 . . . . 1.0900000000000001 111.048 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 1.52 112.299 -179.472 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 121.137 0.494 . . . . 20.350000000000001 110.769 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -113.85 -169.33 1.49 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.223 -0.658 . . . . 19.57 109.223 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 9.2 t -129.21 26.88 5.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.559 0.695 . . . . 19.07 110.14 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -157.75 127.09 1.84 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.514 -0.766 . . . . 16.289999999999999 111.876 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 17.8 m 64.11 28.78 14.2 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 122.987 0.515 . . . . 14.32 111.669 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -77.26 81.62 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.264 0.554 . . . . 12.4 110.808 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' LEU . . . . . 0.544 ' O ' ' HD2' ' A' ' 39' ' ' PRO . 10.8 mp -95.44 1.22 54.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.89 -0.596 . . . . 12.09 110.297 176.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -65.7 128.79 37.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.731 -0.668 . . . . 10.27 110.61 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.547 ' OD1' ' HB ' ' A' ' 49' ' ' THR . 42.6 m-80 -142.88 150.55 39.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.222 -0.444 . . . . 7.4800000000000004 110.884 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -148.99 102.12 3.23 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.868 -0.79 . . . . 3.8900000000000001 108.868 176.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.416 ' H ' HD12 ' A' ' 7' ' ' ILE . 35.0 t -158.47 159.14 35.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.027 -0.533 . . . . 3.4399999999999999 110.553 -173.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -66.67 -22.18 66.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.336 -0.847 . . . . 4.54 110.503 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.49 -18.6 63.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.813 -0.63 . . . . 2.0600000000000001 111.351 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.416 HD12 ' H ' ' A' ' 4' ' ' SER . 88.3 mt -66.7 -31.43 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.333 0.587 . . . . 1.3700000000000001 109.689 175.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 94.0 mtt180 -66.35 -35.36 80.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.72 -0.673 . . . . 4.2400000000000002 110.002 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 56.1 ttp -63.72 -35.17 79.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.565 . . . . 2.5099999999999998 110.362 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 58.4 tp -60.46 -34.24 73.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.545 -0.752 . . . . 0.64000000000000001 110.175 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -75.08 -40.91 59.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.79 -0.641 . . . . 2.02 110.29 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 43.7 mt-10 -73.95 -21.72 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.709 -0.678 . . . . 1.6699999999999999 111.726 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -72.25 -18.24 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.198 0.523 . . . . 1.3400000000000001 110.529 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.1 9.81 17.25 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.427 -0.892 . . . . 0.62 112.626 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 58.6 m95 -73.96 133.35 43.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.593 -0.521 . . . . 0.70999999999999996 109.593 176.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -117.09 140.62 49.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.014 0.435 . . . . 4.4000000000000004 110.979 -175.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.3 tp -73.16 99.7 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.342 -0.844 . . . . 0.69999999999999996 110.037 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.02 -16.32 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.856 0.36 . . . . 1.1299999999999999 111.274 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HB3' ' HB2' ' A' ' 26' ' ' HIS . 27.2 tpt180 -141.4 114.76 8.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.968 0.414 . . . . 4.4000000000000004 110.044 177.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.71 134.93 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.623 -0.717 . . . . 1.8300000000000001 110.459 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.634 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 95.1 m -143.49 154.19 43.38 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.21 -0.663 . . . . 1.8100000000000001 109.21 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.2 -56.56 5.3 Favored Glycine 0 C--N 1.334 0.432 0 O-C-N 123.6 0.562 . . . . 1.4199999999999999 113.668 -175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.595 ' O ' ' HA ' ' A' ' 39' ' ' PRO . 19.8 m -112.21 -34.23 5.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.967 0.383 . . . . 2.6600000000000001 111.509 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.634 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -88.96 115.46 26.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.303 0.573 . . . . 0.81999999999999995 112.319 -172.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 37' ' ' THR . 76.7 m80 -91.27 115.12 27.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.532 -0.758 . . . . 2.2799999999999998 109.644 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 80.1 m-70 -94.56 106.01 17.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.936 0.398 . . . . 3.2000000000000002 110.075 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.573 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 77.9 m-85 -101.15 141.86 33.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.734 -0.667 . . . . 1.46 111.983 -175.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 23.1 tptm -131.42 137.02 48.47 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.526 -0.761 . . . . 1.8 109.348 174.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -105.63 119.17 53.48 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.682 -0.488 . . . . 1.52 109.682 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.11 68.25 1.9 Allowed 'Trans proline' 0 N--CA 1.478 0.57 0 C-N-CA 123.543 2.829 . . . . 1.6699999999999999 113.029 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -177.67 -42.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.169 -0.678 . . . . 2.71 109.169 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HE2' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -112.24 139.55 22.62 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.595 -0.73 . . . . 2.8100000000000001 110.979 178.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.78 61.0 6.16 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.827 2.351 . . . . 1.95 112.21 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' O ' ' HD2' ' A' ' 28' ' ' LYS . . . -129.24 139.84 11.27 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.853 -0.689 . . . . 0.91000000000000003 111.931 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 27' ' ' PHE . 18.8 tp -119.28 118.03 30.16 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.752 -0.462 . . . . 1.5700000000000001 109.752 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.438 HG21 ' HB2' ' A' ' 57' ' ' ALA . 25.5 t -105.46 124.28 60.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.865 0.364 . . . . 0.48999999999999999 110.363 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.489 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 39.3 m -113.92 103.0 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.4 -0.364 . . . . 0.89000000000000001 110.749 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 53' ' ' ILE . 37.4 t -103.83 102.74 32.99 Favored Pre-proline 0 C--O 1.236 0.345 0 N-CA-C 111.938 0.347 . . . . 1.3600000000000001 111.938 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.595 ' HA ' ' O ' ' A' ' 23' ' ' SER . 8.7 Cg_exo -73.6 111.53 3.31 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.855 2.37 . . . . 1.8400000000000001 110.634 167.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -110.67 103.25 54.11 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.857 -0.611 . . . . 4.6500000000000004 111.673 -173.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -94.93 175.27 1.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.296 2.664 . . . . 3.8300000000000001 111.081 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -93.06 99.74 12.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.368 -0.605 . . . . 6.5899999999999999 109.368 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -172.93 144.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.35 -0.611 . . . . 6.2000000000000002 109.35 -175.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.95 99.08 3.73 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.386 -0.598 . . . . 7.1100000000000003 109.386 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -110.51 131.71 21.92 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.276 -0.42 . . . . 5.4900000000000002 110.761 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -62.31 160.01 32.93 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.977 2.452 . . . . 5.2199999999999998 111.992 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.1 pt -85.42 10.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.154 -0.476 . . . . 4.5499999999999998 111.871 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' O ' ' HE2' ' A' ' 51' ' ' LYS . . . -53.24 -43.77 64.29 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.443 -0.408 . . . . 3.3100000000000001 113.312 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.547 ' HB ' ' OD1' ' A' ' 2' ' ' ASN . 9.8 m -82.15 -29.33 31.64 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.327 -0.514 . . . . 2.79 110.282 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.457 HG23 ' OD1' ' A' ' 2' ' ' ASN . 13.0 t -64.6 -41.16 91.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.879 -0.6 . . . . 1.76 112.319 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -68.38 -19.59 64.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.018 0.437 . . . . 4.2300000000000004 110.616 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.2 m -77.49 -38.78 48.37 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.403 -0.592 . . . . 2.25 109.403 171.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 49' ' ' THR . 28.6 mt -60.96 -43.35 95.77 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.103 0 CA-C-N 115.968 -0.56 . . . . 0.81999999999999995 110.051 174.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -60.13 -22.49 62.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 2.71 111.846 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.87 -39.07 83.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.978 0.418 . . . . 3.2599999999999998 109.897 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.535 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 15.5 m -86.7 -34.23 19.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.089 -0.505 . . . . 1.1299999999999999 110.777 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.579 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -82.48 -30.04 30.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 1.0900000000000001 112.058 -175.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.63 -28.76 8.18 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.626 -0.797 . . . . 1.52 113.115 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.2 mt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.813 -0.613 . . . . 5.0800000000000001 110.626 -177.256 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -6' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' A' ' -2' ' ' SER . 19.6 t70 . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.476 0.179 . . . . 20.350000000000001 111.155 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -69.8 -55.89 8.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.801 -0.181 . . . . 19.57 111.101 -176.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 23.7 m -68.04 -47.76 67.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.094 0.473 . . . . 19.07 110.081 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -137.97 120.36 2.01 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.159 -0.776 . . . . 16.289999999999999 111.159 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' -6' ' ' ASP . 28.5 t -78.45 -31.87 48.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.014 0.435 . . . . 14.32 110.205 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLU . . . . . 0.609 ' HG3' ' H ' ' A' ' 1' ' ' MET . 8.9 tp10 -137.78 139.68 40.17 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.991 -0.55 . . . . 12.4 109.719 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 88.0 mt -90.43 -7.51 52.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.171 -0.468 . . . . 12.09 110.408 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.609 ' H ' ' HG3' ' A' ' -1' ' ' GLU . 65.1 mtt -76.73 93.76 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 10.27 110.156 177.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -66.08 134.39 52.73 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.358 -0.608 . . . . 7.4800000000000004 109.358 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -77.71 63.78 2.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.193 0.521 . . . . 3.8900000000000001 111.623 -174.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 p -81.31 -12.82 58.94 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.979 -0.555 . . . . 3.4399999999999999 110.16 176.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -46.69 -44.91 19.06 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.636 -0.711 . . . . 4.54 111.742 174.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.7 mt -66.8 -39.59 87.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.548 -0.751 . . . . 2.0600000000000001 110.806 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.4 mt -69.06 -38.01 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 1.3700000000000001 109.757 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 79.0 ttt180 -59.08 -55.43 35.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 4.2400000000000002 111.243 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.7 ptm -66.28 -25.74 67.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.194 0.521 . . . . 2.5099999999999998 110.94 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.426 HD22 HG11 ' A' ' 36' ' ' VAL . 50.4 tp -75.55 -42.38 52.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.454 -0.794 . . . . 0.64000000000000001 110.322 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.59 -37.8 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.67 -0.695 . . . . 2.02 110.728 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 48.8 mt-10 -72.42 -16.59 61.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 1.6699999999999999 111.905 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -81.05 -13.65 58.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 1.3400000000000001 110.382 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.25 24.21 8.57 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.508 -0.854 . . . . 0.62 113.551 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -83.26 172.63 12.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.954 0.377 . . . . 0.70999999999999996 110.676 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -135.63 137.09 41.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.454 -0.339 . . . . 4.4000000000000004 110.584 -177.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 25' ' ' HIS . 54.1 tp -74.31 109.05 7.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.174 -0.466 . . . . 0.69999999999999996 109.908 176.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 m -99.6 -24.96 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 112.454 0.539 . . . . 1.1299999999999999 112.454 -174.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -161.73 124.22 2.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 4.4000000000000004 111.334 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.405 ' CG2' HD21 ' A' ' 17' ' ' LEU . 39.4 t -99.91 104.58 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.276 -0.42 . . . . 1.8300000000000001 110.007 175.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -100.11 97.62 8.43 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.801 -0.444 . . . . 1.8100000000000001 109.801 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.29 -112.92 5.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.707 -0.758 . . . . 1.4199999999999999 112.012 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -99.46 -9.01 23.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.164 0.507 . . . . 2.6600000000000001 109.922 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.62 99.07 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.319 0.58 . . . . 0.81999999999999995 110.884 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.558 ' NE2' ' HB ' ' A' ' 38' ' ' VAL . 9.6 p-80 -88.94 131.6 35.07 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.891 -0.595 . . . . 2.2799999999999998 110.102 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' HB3' HD11 ' A' ' 35' ' ' LEU . 90.3 m-70 -101.11 123.4 45.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.606 -0.725 . . . . 3.2000000000000002 111.33 -174.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -101.12 135.04 43.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.692 -0.686 . . . . 1.46 110.355 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -153.69 149.37 27.45 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.911 -0.586 . . . . 1.8 109.711 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -110.49 137.94 20.83 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.712 -0.848 . . . . 1.52 108.712 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -68.83 56.31 1.0 Allowed 'Trans proline' 0 N--CA 1.476 0.477 0 C-N-CA 123.023 2.482 . . . . 1.6699999999999999 112.927 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 tptp 179.97 -26.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.451 -0.795 . . . . 2.71 109.279 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -110.08 128.51 25.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.66 -0.7 . . . . 2.8100000000000001 110.453 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -82.2 17.78 1.52 Allowed 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.829 2.353 . . . . 1.95 112.434 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.02 97.65 2.08 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.974 -0.631 . . . . 0.91000000000000003 111.873 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 26' ' ' HIS . 32.5 tp -89.9 106.12 18.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.997 0.427 . . . . 1.5700000000000001 110.107 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.716 HG13 HG23 ' A' ' 53' ' ' ILE . 53.4 t -91.65 117.35 34.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.997 -0.547 . . . . 0.48999999999999999 110.917 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.9 m -101.65 107.56 18.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.821 -0.627 . . . . 0.89000000000000001 110.29 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 16.6 t -109.69 99.66 38.95 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.653 0.263 . . . . 1.3600000000000001 110.522 177.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.646 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 88.2 Cg_endo -91.43 151.27 3.61 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 123.47 2.78 . . . . 1.8400000000000001 112.232 176.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -104.06 89.88 2.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.639 -0.255 . . . . 4.6500000000000004 110.903 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.646 ' HD3' ' O ' ' A' ' 39' ' ' PRO . 57.4 Cg_endo -95.66 130.56 0.45 Allowed 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 123.046 2.497 . . . . 3.8300000000000001 111.821 177.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -78.43 94.94 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.832 0.825 . . . . 6.5899999999999999 109.705 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HG2' ' H ' ' A' ' 44' ' ' ASP . 37.6 ttmt 177.72 178.89 0.31 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.434 -1.257 . . . . 6.2000000000000002 107.728 -175.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.509 ' H ' ' HG2' ' A' ' 43' ' ' LYS . 32.3 t70 -68.44 116.01 8.51 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.369 -0.974 . . . . 7.1100000000000003 108.369 165.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mp -62.57 122.58 74.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 120.714 0.293 . . . . 5.4900000000000002 110.98 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.32 124.02 11.21 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.741 2.294 . . . . 5.2199999999999998 111.955 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.6 tp -65.11 -24.52 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.92 -0.582 . . . . 4.5499999999999998 110.408 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.32 -40.21 93.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.158 -0.544 . . . . 3.3100000000000001 112.237 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.5 m -70.87 -33.7 70.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.139 0.495 . . . . 2.79 110.503 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.48 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 90.8 t -70.74 -33.14 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.122 -0.49 . . . . 1.76 110.471 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -61.67 -30.23 70.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.212 0.53 . . . . 4.2300000000000004 110.204 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m -74.65 -33.56 62.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.817 -0.629 . . . . 2.25 109.981 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.716 HG23 HG13 ' A' ' 36' ' ' VAL . 42.0 mt -66.2 -51.95 53.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.265 -0.425 . . . . 0.81999999999999995 110.347 176.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 50' ' ' VAL . 93.5 mt-30 -52.24 -56.57 13.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 2.71 111.533 -175.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -62.0 -25.6 67.74 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.705 0.261 . . . . 3.2599999999999998 111.705 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.4 m -86.56 -33.9 20.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.712 0.291 . . . . 1.1299999999999999 111.09 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.479 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -83.25 0.33 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.109 0.481 . . . . 1.0900000000000001 111.076 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.77 10.27 65.19 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.955 -0.641 . . . . 1.52 112.417 176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.6 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.437 -0.792 . . . . 5.0800000000000001 109.778 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 110.567 -0.16 . . . . 20.350000000000001 110.567 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 53.02 66.09 1.33 Allowed 'General case' 0 C--O 1.232 0.164 0 O-C-N 123.848 0.718 . . . . 19.57 110.913 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 12.0 m -146.68 64.34 1.19 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.623 -0.717 . . . . 19.07 109.38 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -129.46 27.49 4.18 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.648 -0.705 . . . . 16.289999999999999 112.169 -178.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.5 m -79.82 -21.28 44.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.976 0.417 . . . . 14.32 110.512 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -106.97 132.26 53.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.074 0.464 . . . . 12.4 110.583 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' LEU . . . . . 0.499 ' O ' ' HG2' ' A' ' 41' ' ' PRO . 1.3 pt? -135.81 55.77 1.85 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.566 -0.743 . . . . 12.09 109.404 177.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt 52.25 70.26 0.58 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.466 -0.788 . . . . 10.27 110.144 -174.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -81.1 59.0 3.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.668 -0.696 . . . . 7.4800000000000004 111.182 -173.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -98.59 -60.31 1.57 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.037 -0.529 . . . . 3.8900000000000001 109.968 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.575 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 41.3 m 60.34 48.93 7.44 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.943 0.401 . . . . 3.4399999999999999 110.941 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.26 -47.52 85.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.561 . . . . 4.54 111.34 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.84 -26.61 67.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.421 . . . . 2.0600000000000001 110.758 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt -80.03 -25.81 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.186 -0.461 . . . . 1.3700000000000001 110.482 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' ' 4' ' ' SER . 99.4 mtt180 -63.98 -48.61 75.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.394 . . . . 4.2400000000000002 110.693 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -68.25 -23.29 64.77 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.468 0.651 . . . . 2.5099999999999998 110.342 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.3 tp -79.01 -51.9 8.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.125 -0.943 . . . . 0.64000000000000001 110.973 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.09 -39.39 85.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.524 -0.762 . . . . 2.02 111.873 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.74 -16.43 64.13 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.734 0.642 . . . . 1.6699999999999999 112.734 -173.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -75.95 -26.01 56.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.072 0.463 . . . . 1.3400000000000001 110.206 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.51 3.6 7.17 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.573 -0.822 . . . . 0.62 112.533 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.531 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 93.7 m95 -70.86 134.17 47.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 0.70999999999999996 110.387 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -117.97 149.41 40.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.032 -0.531 . . . . 4.4000000000000004 109.884 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.423 ' CD2' HG22 ' A' ' 20' ' ' VAL . 54.6 tp -75.51 109.79 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.085 -0.507 . . . . 0.69999999999999996 110.226 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 m -94.38 -38.39 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.459 -0.337 . . . . 1.1299999999999999 111.428 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.489 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 5.1 mmp_? -120.68 113.35 20.08 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.753 0.311 . . . . 4.4000000000000004 110.352 178.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' A' ' 17' ' ' LEU . 27.8 t -88.25 103.19 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.97 -0.559 . . . . 1.8300000000000001 110.287 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 22.9 m -117.81 132.77 56.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.842 -0.617 . . . . 1.8100000000000001 109.817 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.17 55.04 3.57 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.339 -0.458 . . . . 1.4199999999999999 113.302 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 p -167.92 -55.05 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.144 -0.687 . . . . 2.6600000000000001 109.144 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' A' ' 39' ' ' PRO . . . -132.85 128.11 35.93 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.984 -1.007 . . . . 0.81999999999999995 110.032 176.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.422 ' HB2' HG23 ' A' ' 38' ' ' VAL . 37.0 m170 -87.06 131.93 33.97 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.085 -0.507 . . . . 2.2799999999999998 110.001 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.489 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 73.9 m80 -105.84 114.39 28.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 3.2000000000000002 109.974 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.444 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.5 m-85 -102.68 142.79 33.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.646 -0.706 . . . . 1.46 111.381 -177.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -157.11 134.95 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.519 -0.764 . . . . 1.8 110.083 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -111.06 129.46 23.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.213 -0.662 . . . . 1.52 109.213 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -71.37 51.9 1.48 Allowed 'Trans proline' 0 N--CA 1.481 0.764 0 C-N-CA 123.675 2.917 . . . . 1.6699999999999999 113.73 -175.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -161.22 -41.0 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.361 -0.381 . . . . 2.71 110.126 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -107.99 127.52 27.48 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.378 -0.374 . . . . 2.8100000000000001 110.378 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.78 138.47 37.81 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.734 2.289 . . . . 1.95 112.575 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.26 141.71 3.8 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.821 -0.705 . . . . 0.91000000000000003 111.906 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.2 tp -119.16 114.4 22.39 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.7 -0.482 . . . . 1.5700000000000001 109.7 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.837 HG13 HG23 ' A' ' 53' ' ' ILE . 42.0 t -95.2 122.18 46.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.053 -0.521 . . . . 0.48999999999999999 110.718 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.4 m -111.01 100.03 8.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.944 -0.571 . . . . 0.89000000000000001 110.36 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.422 HG23 ' HB2' ' A' ' 25' ' ' HIS . 2.7 m -103.88 109.3 62.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 121.132 0.492 . . . . 1.3600000000000001 110.898 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 83.6 Cg_endo -85.15 148.81 10.51 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.952 2.435 . . . . 1.8400000000000001 112.682 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -87.89 156.25 52.51 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.792 -0.64 . . . . 4.6500000000000004 109.921 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.499 ' HG2' ' O ' ' A' ' 0' ' ' LEU . 28.3 Cg_exo -28.95 110.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 124.78 3.653 . . . . 3.8300000000000001 114.656 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -154.46 -163.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.089 -0.96 . . . . 6.5899999999999999 109.256 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -72.25 119.99 17.23 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.019 -0.734 . . . . 6.2000000000000002 109.019 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.28 118.98 7.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.655 -0.702 . . . . 7.1100000000000003 112.46 -170.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mp -77.13 167.04 39.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.755 -0.657 . . . . 5.4900000000000002 109.432 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.52 139.08 57.17 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.576 2.184 . . . . 5.2199999999999998 111.707 174.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm -63.21 -17.88 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.967 -0.561 . . . . 4.5499999999999998 110.615 -176.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -53.63 -38.06 57.94 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.758 -0.655 . . . . 3.3100000000000001 112.407 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 53.3 p -68.21 -32.26 72.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.262 0.553 . . . . 2.79 110.833 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.8 t -74.54 -43.63 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.625 -0.716 . . . . 1.76 111.646 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -19.31 63.29 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.435 -0.506 . . . . 4.2300000000000004 110.091 177.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.1 m -68.33 -34.17 75.63 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.638 -0.505 . . . . 2.25 109.638 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.837 HG23 HG13 ' A' ' 36' ' ' VAL . 44.2 mt -60.41 -51.55 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.399 -0.593 . . . . 0.81999999999999995 109.399 175.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.17 -36.43 79.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.58 -0.736 . . . . 2.71 111.103 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -72.71 -30.45 64.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.367 -0.378 . . . . 3.2599999999999998 111.235 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -86.24 -41.4 14.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.974 0.416 . . . . 1.1299999999999999 110.949 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.531 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -82.29 -31.4 30.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.993 -0.549 . . . . 1.0900000000000001 112.243 -174.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -131.31 7.65 5.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.268 -0.967 . . . . 1.52 113.04 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.485 ' HA ' ' O ' ' A' ' 55' ' ' LYS . 6.6 mp . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.582 -0.723 . . . . 5.0800000000000001 111.434 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.467 0.175 . . . . 20.350000000000001 111.379 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -61.06 -55.11 36.53 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.602 -0.272 . . . . 19.57 110.533 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 44.9 m -71.46 92.44 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.4 0.619 . . . . 19.07 109.879 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 145.15 -32.49 1.66 Allowed Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.929 -0.868 . . . . 16.289999999999999 110.929 -175.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.6 t -92.33 41.54 1.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.629 0.728 . . . . 14.32 109.535 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -144.27 90.26 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.49 -0.777 . . . . 12.4 109.529 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.17 174.78 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.546 -0.752 . . . . 12.09 110.502 -176.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -87.29 49.93 1.91 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.096 -0.502 . . . . 10.27 110.479 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -158.6 89.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.89 -0.595 . . . . 7.4800000000000004 109.961 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -72.78 83.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.35 0.595 . . . . 3.8900000000000001 109.804 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.6 t -152.52 49.5 0.75 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.507 -0.769 . . . . 3.4399999999999999 109.515 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -65.0 -30.4 71.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.447 -0.797 . . . . 4.54 110.78 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.57 -49.69 75.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 2.0600000000000001 110.701 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.3 mm -70.34 -36.66 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 1.3700000000000001 110.055 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.546 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 32.8 tpt180 -61.93 -49.71 75.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.072 -0.513 . . . . 4.2400000000000002 110.744 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 tpt -57.42 -44.92 85.04 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.344 0.593 . . . . 2.5099999999999998 110.549 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.79 -35.05 78.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.969 -1.014 . . . . 0.64000000000000001 110.379 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -71.76 -41.88 67.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.237 -0.892 . . . . 2.02 110.9 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 41.8 mt-10 -67.39 -33.89 76.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.912 -0.585 . . . . 1.6699999999999999 112.164 -175.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.73 -22.37 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 1.3400000000000001 110.582 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.48 25.35 2.93 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.3 -0.952 . . . . 0.62 113.343 175.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.455 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 68.0 m95 -100.08 139.41 35.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.959 0.379 . . . . 0.70999999999999996 110.661 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -127.37 157.93 38.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.172 -0.467 . . . . 4.4000000000000004 109.995 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 25' ' ' HIS . 57.8 tp -70.98 125.34 26.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.692 -0.685 . . . . 0.69999999999999996 111.046 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.4 m -113.76 -36.57 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.768 0.285 . . . . 1.1299999999999999 111.768 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -143.17 141.95 31.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 4.4000000000000004 110.89 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.406 ' CG2' HD21 ' A' ' 17' ' ' LEU . 41.1 t -121.32 125.75 74.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.403 -0.362 . . . . 1.8300000000000001 110.601 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.1 p -125.14 100.88 6.75 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.753 -0.462 . . . . 1.8100000000000001 109.753 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.24 -112.99 5.44 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.137 -0.554 . . . . 1.4199999999999999 112.012 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 m -106.09 -0.12 25.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.038 0.447 . . . . 2.6600000000000001 110.375 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.53 120.25 36.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.995 -0.548 . . . . 0.81999999999999995 110.377 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' HB3' HD13 ' A' ' 17' ' ' LEU . 12.1 m170 -100.05 127.37 46.28 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.899 -0.591 . . . . 2.2799999999999998 110.244 -177.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.521 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 71.5 m-70 -99.42 121.74 41.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.101 0.477 . . . . 3.2000000000000002 110.107 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 25.0 m-85 -108.25 144.22 36.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.394 -0.821 . . . . 1.46 110.055 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -157.66 125.09 5.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.55 0.691 . . . . 1.8 111.62 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -112.41 112.05 51.99 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 114.761 -1.108 . . . . 1.52 108.649 176.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.16 -11.58 13.34 Favored 'Trans proline' 0 N--CA 1.478 0.597 0 C-N-CA 123.282 2.655 . . . . 1.6699999999999999 114.609 -171.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -85.79 -30.71 22.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 2.71 110.214 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HB3' HD12 ' A' ' 59' ' ' LEU . 14.7 mmmm -110.6 120.02 44.95 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 2.8100000000000001 110.114 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.24 84.69 0.45 Allowed 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.702 2.268 . . . . 1.95 112.891 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.44 147.26 13.53 Favored Glycine 0 N--CA 1.439 -1.129 0 C-N-CA 120.247 -0.978 . . . . 0.91000000000000003 112.43 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.0 tp -122.54 114.66 20.97 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.356 -0.609 . . . . 1.5700000000000001 109.356 172.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.765 HG13 HG23 ' A' ' 53' ' ' ILE . 40.9 t -100.97 135.71 35.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.114 -0.494 . . . . 0.48999999999999999 110.945 -177.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.8 m -124.12 99.08 6.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.251 -0.431 . . . . 0.89000000000000001 109.867 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG12 HD13 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -99.67 112.93 64.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.526 . . . . 1.3600000000000001 111.549 -179.368 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -88.35 149.84 6.56 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.15 2.567 . . . . 1.8400000000000001 111.715 174.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -82.27 141.5 46.24 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.336 -0.393 . . . . 4.6500000000000004 110.321 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -41.8 105.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 124.325 3.35 . . . . 3.8300000000000001 114.53 -174.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -133.84 -162.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.142 -0.936 . . . . 6.5899999999999999 109.491 176.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.612 ' HG3' ' H ' ' A' ' 44' ' ' ASP . 2.0 tppp? -72.64 -175.72 1.75 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.716 -0.476 . . . . 6.2000000000000002 109.716 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.612 ' H ' ' HG3' ' A' ' 43' ' ' LYS . 4.5 m-20 -55.45 109.92 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.982 0.734 . . . . 7.1100000000000003 112.982 -177.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mp -109.14 162.78 18.83 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.073 -1.084 . . . . 5.4900000000000002 108.073 165.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.73 109.72 0.33 Allowed 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.346 2.031 . . . . 5.2199999999999998 112.192 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.8 pt -67.49 -14.16 17.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 115.968 -0.56 . . . . 4.5499999999999998 111.507 -176.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.28 -28.08 61.24 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.532 -0.627 . . . . 3.3100000000000001 111.532 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.558 ' O ' HG13 ' A' ' 53' ' ' ILE . 6.3 m -64.76 -39.13 93.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.136 0.494 . . . . 2.79 110.273 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.5 t -70.84 -44.21 76.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.666 -0.697 . . . . 1.76 111.984 -175.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -19.15 63.15 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.486 -0.486 . . . . 4.2300000000000004 110.287 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.1 m -77.23 -27.53 53.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 2.25 110.351 172.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.765 HG23 HG13 ' A' ' 36' ' ' VAL . 57.1 mt -63.87 -57.56 11.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 N-CA-C 109.982 -0.377 . . . . 0.81999999999999995 109.982 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -59.42 -36.48 75.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 2.71 111.132 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -59.79 -48.13 82.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.969 -0.559 . . . . 3.2599999999999998 110.623 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.616 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 12.2 m -79.74 -46.53 16.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.087 -0.506 . . . . 1.1299999999999999 111.656 -175.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.521 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -70.57 -28.74 65.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.906 0.384 . . . . 1.0900000000000001 111.357 -177.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.19 -43.57 4.02 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.731 -0.747 . . . . 1.52 112.508 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 56' ' ' SER . 79.0 mt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.907 -0.568 . . . . 5.0800000000000001 111.572 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 120.813 0.34 . . . . 20.350000000000001 110.705 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -96.32 132.95 41.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.35 -0.386 . . . . 19.57 109.986 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 5.0 m -64.3 127.58 32.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.49 -0.323 . . . . 19.07 110.795 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 93.58 -1.87 69.59 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.718 -0.754 . . . . 16.289999999999999 112.229 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 13.1 t -76.18 -20.46 57.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.365 0.602 . . . . 14.32 109.761 178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.95 82.06 5.17 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.603 -0.726 . . . . 12.4 109.657 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 88.6 mt -110.32 162.13 14.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.066 -0.515 . . . . 12.09 110.817 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm -113.67 100.51 8.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.428 -0.806 . . . . 10.27 109.565 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -75.12 150.68 38.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.09 -0.505 . . . . 7.4800000000000004 110.178 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -72.55 89.37 1.28 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.146 -0.479 . . . . 3.8900000000000001 109.836 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 m -107.1 24.34 12.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.995 -0.548 . . . . 3.4399999999999999 111.095 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.4 tmtt? -65.78 -41.27 92.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 4.54 110.785 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.51 -37.73 68.28 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.972 -0.381 . . . . 2.0600000000000001 109.972 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.45 -36.56 75.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 1.3700000000000001 109.79 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 55.6 ttp180 -59.62 -48.59 81.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.522 -0.763 . . . . 4.2400000000000002 110.572 177.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.5 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 59.7 mtp -61.35 -49.17 78.03 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.285 0.564 . . . . 2.5099999999999998 109.797 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.0 tp -52.27 -32.86 39.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.554 -1.203 . . . . 0.64000000000000001 110.847 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -80.61 -53.35 6.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.054 -0.521 . . . . 2.02 110.849 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 10.6 pt-20 -72.84 -13.32 61.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.387 -0.37 . . . . 1.6699999999999999 111.568 -176.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.23 -24.4 67.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.106 0.479 . . . . 1.3400000000000001 110.068 175.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.1 -8.01 7.61 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.646 -0.788 . . . . 0.62 112.901 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.546 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 84.7 m95 -65.07 135.78 55.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.958 0.408 . . . . 0.70999999999999996 109.986 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -109.28 142.92 39.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.331 -0.395 . . . . 4.4000000000000004 110.553 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.502 HD11 ' HB ' ' A' ' 20' ' ' VAL . 43.3 tp -74.25 99.38 3.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.746 -0.464 . . . . 0.69999999999999996 109.746 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 m -93.98 -33.39 5.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.251 -0.431 . . . . 1.1299999999999999 111.045 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -141.84 137.27 31.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.405 -0.361 . . . . 4.4000000000000004 110.069 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.502 ' HB ' HD11 ' A' ' 17' ' ' LEU . 1.4 p -140.12 106.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.471 0.653 . . . . 1.8300000000000001 110.421 177.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 p -111.92 98.79 7.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.718 -0.674 . . . . 1.8100000000000001 110.726 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.49 -126.6 19.09 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.815 -0.707 . . . . 1.4199999999999999 111.975 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -82.73 -32.78 27.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.928 0.394 . . . . 2.6600000000000001 110.641 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.9 117.93 23.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.155 -0.475 . . . . 0.81999999999999995 110.7 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.425 ' HB2' HD11 ' A' ' 17' ' ' LEU . 9.3 p80 -123.72 135.71 54.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.134 -0.485 . . . . 2.2799999999999998 111.394 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.607 ' NE2' ' HB2' ' A' ' 28' ' ' LYS . 2.2 t-160 -97.14 125.15 41.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.531 -0.759 . . . . 3.2000000000000002 111.428 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.536 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 42.4 m-85 -100.76 134.93 43.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.761 -1.109 . . . . 1.46 109.88 174.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.607 ' HB2' ' NE2' ' A' ' 26' ' ' HIS . 85.9 tttt -148.38 133.27 18.06 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.304 -0.407 . . . . 1.8 110.03 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.463 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 18.6 t-80 -109.79 127.6 26.85 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.571 -0.9 . . . . 1.52 108.571 176.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 56.8 Cg_endo -67.27 58.09 0.64 Allowed 'Trans proline' 0 N--CA 1.481 0.766 0 C-N-CA 123.505 2.803 . . . . 1.6699999999999999 113.416 -176.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -176.2 -28.03 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.428 -0.805 . . . . 2.71 108.984 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -101.23 120.18 55.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 2.8100000000000001 110.325 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -76.6 111.9 3.34 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.046 1.831 . . . . 1.95 111.273 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.24 145.53 4.97 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.073 -1.06 . . . . 0.91000000000000003 112.668 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.573 HD12 ' NE2' ' A' ' 26' ' ' HIS . 9.1 tp -111.2 99.12 8.01 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.953 -0.388 . . . . 1.5700000000000001 109.953 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.617 HG13 HG23 ' A' ' 53' ' ' ILE . 68.8 t -98.3 99.3 8.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.82 -0.437 . . . . 0.48999999999999999 109.82 176.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 28.1 m -111.07 102.99 11.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.216 -0.447 . . . . 0.89000000000000001 109.962 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.2 t -103.04 114.49 65.16 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.217 -0.447 . . . . 1.3600000000000001 110.937 -175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -89.61 150.07 5.17 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.056 2.504 . . . . 1.8400000000000001 111.856 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -126.4 86.24 58.62 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 121.389 0.614 . . . . 4.6500000000000004 110.714 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -104.56 177.47 0.12 Allowed 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 123.647 2.898 . . . . 3.8300000000000001 112.502 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -85.34 98.07 10.33 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.545 -0.909 . . . . 6.5899999999999999 108.545 169.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt 179.87 146.11 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.341 -0.845 . . . . 6.2000000000000002 109.343 -174.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.59 112.23 5.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.593 -0.521 . . . . 7.1100000000000003 109.593 173.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.83 129.34 94.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 5.4900000000000002 110.706 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.23 112.06 1.19 Allowed 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.656 2.237 . . . . 5.2199999999999998 111.508 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 tp -62.3 -30.68 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 4.5499999999999998 111.069 -175.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.53 -45.39 96.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 3.3100000000000001 111.892 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.512 ' O ' HG13 ' A' ' 53' ' ' ILE . 22.6 m -67.16 -40.93 86.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.925 0.393 . . . . 2.79 110.661 178.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.7 t -68.62 -37.32 77.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 1.76 111.565 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -65.91 -31.52 72.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.908 0.385 . . . . 4.2300000000000004 109.99 174.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 t -66.84 -39.31 87.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.419 -0.585 . . . . 2.25 109.419 174.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.617 HG23 HG13 ' A' ' 36' ' ' VAL . 24.6 mt -60.78 -49.53 84.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-N 116.309 -0.405 . . . . 0.81999999999999995 109.964 175.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -56.82 -43.22 80.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 2.71 110.702 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.78 -44.81 88.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.918 -0.583 . . . . 3.2599999999999998 111.053 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 t -69.75 -38.07 76.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.432 . . . . 1.1299999999999999 111.059 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -80.78 -30.6 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.856 0.36 . . . . 1.0900000000000001 111.611 -177.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.78 42.75 3.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.847 -0.692 . . . . 1.52 112.195 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.209 -0.9 . . . . 5.0800000000000001 110.404 -177.897 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 110.351 -0.24 . . . . 20.350000000000001 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 58.01 62.72 1.97 Allowed 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.785 0.678 . . . . 19.57 110.907 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 12.0 t -101.56 -28.14 12.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.167 -0.47 . . . . 19.07 111.257 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -92.55 -45.59 3.68 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.353 -0.927 . . . . 16.289999999999999 112.304 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 17.1 m -87.67 102.98 15.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.863 0.364 . . . . 14.32 110.561 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -76.2 112.54 12.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.069 -0.514 . . . . 12.4 109.619 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 48.9 tp -71.73 97.37 1.75 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.301 0.572 . . . . 12.09 111.865 -173.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpt -128.81 132.28 47.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.018 -0.992 . . . . 10.27 108.644 171.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -68.88 108.73 3.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.252 0.549 . . . . 7.4800000000000004 112.265 -170.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m 70.03 -72.87 0.1 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.854 -1.066 . . . . 3.8900000000000001 112.703 174.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.4 p -83.32 41.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.803 0.335 . . . . 3.4399999999999999 111.88 -173.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.481 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 46.9 pttt -55.7 -59.99 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 4.54 112.046 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.481 ' H ' ' HG3' ' A' ' 5' ' ' LYS . 89.9 mt -78.46 -36.48 45.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.661 0.267 . . . . 2.0600000000000001 110.489 -178.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mt -58.69 -37.53 66.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.98 -0.554 . . . . 1.3700000000000001 110.712 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 6.6 tpm_? -56.48 -56.28 23.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.61 -0.723 . . . . 4.2400000000000002 111.011 178.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 21.5 ptt? -69.83 -31.58 69.53 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.986 -0.376 . . . . 2.5099999999999998 109.986 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.47 -51.71 66.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.774 -0.648 . . . . 0.64000000000000001 111.168 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.43 -38.39 90.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.859 -0.61 . . . . 2.02 112.136 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 12.4 pt-20 -90.65 -6.51 54.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.877 0.325 . . . . 1.6699999999999999 111.877 -175.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' ' 9' ' ' MET . 16.5 t70 -80.61 -25.43 38.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.018 0.437 . . . . 1.3400000000000001 109.987 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.9 0.99 7.61 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.526 -0.845 . . . . 0.62 113.278 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.401 ' HZ3' ' O ' ' A' ' 34' ' ' GLY . 69.5 m95 -75.24 134.03 41.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.068 0.434 . . . . 0.70999999999999996 110.159 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -110.75 145.52 37.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.261 -0.427 . . . . 4.4000000000000004 110.591 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.59 104.83 5.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.207 -0.664 . . . . 0.69999999999999996 109.207 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.24 -19.26 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.351 -0.386 . . . . 1.1299999999999999 111.411 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -147.18 124.3 11.44 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.96 -0.385 . . . . 4.4000000000000004 109.96 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -87.11 98.65 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.919 -0.582 . . . . 1.8300000000000001 110.036 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.691 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 5.5 m -114.04 118.04 32.97 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.302 -0.863 . . . . 1.8100000000000001 109.306 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.5 84.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.217 -0.516 . . . . 1.4199999999999999 112.387 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -63.27 -49.58 73.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.913 0.387 . . . . 2.6600000000000001 110.142 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.691 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -156.75 122.43 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.838 -0.619 . . . . 0.81999999999999995 110.154 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -69.6 133.07 47.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.257 -0.429 . . . . 2.2799999999999998 110.607 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.422 ' HB3' HD11 ' A' ' 35' ' ' LEU . 61.0 m80 -106.57 106.98 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 3.2000000000000002 110.947 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . 57.8 m-85 -101.6 149.68 23.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.577 -0.738 . . . . 1.46 110.833 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -151.57 141.29 21.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.781 -0.645 . . . . 1.8 109.898 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -90.53 128.77 47.48 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.958 -0.756 . . . . 1.52 108.958 176.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -67.98 61.42 0.96 Allowed 'Trans proline' 0 N--CA 1.478 0.599 0 C-N-CA 123.419 2.746 . . . . 1.6699999999999999 113.296 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -175.36 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.495 -0.557 . . . . 2.71 109.495 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -108.31 133.71 20.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.71 -0.677 . . . . 2.8100000000000001 110.654 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.22 51.51 2.88 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 123.198 2.598 . . . . 1.95 112.562 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' O ' ' HZ3' ' A' ' 15' ' ' TRP . . . -103.9 129.33 9.82 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.978 -0.849 . . . . 0.91000000000000003 110.978 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 26' ' ' HIS . 26.2 tp -111.59 111.87 23.18 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.853 0.359 . . . . 1.5700000000000001 110.67 -177.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.643 HG13 HG23 ' A' ' 53' ' ' ILE . 24.0 t -91.83 127.44 44.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.974 -0.557 . . . . 0.48999999999999999 110.04 177.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.407 HG22 ' HB1' ' A' ' 24' ' ' ALA . 6.9 m -112.62 101.34 9.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.167 -0.47 . . . . 0.89000000000000001 110.438 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t -99.74 122.55 50.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.326 -0.397 . . . . 1.3600000000000001 111.911 -173.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.57 149.87 44.68 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.749 2.299 . . . . 1.8400000000000001 111.819 175.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -83.39 157.17 65.37 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.274 -0.421 . . . . 4.6500000000000004 111.208 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.29 166.27 1.79 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.348 2.699 . . . . 3.8300000000000001 113.617 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.8 tttt 26.02 95.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.724 1.209 . . . . 6.5899999999999999 112.794 -169.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.606 ' HD3' ' N ' ' A' ' 44' ' ' ASP . 13.1 tmtt? 178.24 148.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.489 -1.3 . . . . 6.2000000000000002 107.489 -177.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.606 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 19.5 t70 -60.58 99.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.801 -0.444 . . . . 7.1100000000000003 109.801 173.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -73.08 125.0 91.27 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.733 -0.667 . . . . 5.4900000000000002 110.656 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -70.27 108.1 2.1 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.058 1.839 . . . . 5.2199999999999998 110.968 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.3 mm -64.71 -37.48 80.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.989 -0.551 . . . . 4.5499999999999998 110.979 -174.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.37 -42.79 95.84 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.6 -0.809 . . . . 3.3100000000000001 111.643 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 53' ' ' ILE . 10.6 m -68.2 -38.86 82.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.954 0.407 . . . . 2.79 110.731 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.9 t -68.64 -38.67 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 1.76 111.386 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -68.38 -23.48 64.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.119 0.485 . . . . 4.2300000000000004 109.973 175.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 t -75.85 -32.9 59.97 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.128 -0.487 . . . . 2.25 109.699 175.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.643 HG23 HG13 ' A' ' 36' ' ' VAL . 28.1 mt -63.68 -47.72 89.87 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 N-CA-C 109.045 -0.724 . . . . 0.81999999999999995 109.045 173.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -60.08 -31.74 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.509 -0.769 . . . . 2.71 110.476 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -66.0 -59.46 3.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 3.2599999999999998 111.113 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 m -76.61 -48.92 17.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.23 0.455 . . . . 1.1299999999999999 112.23 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.515 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -82.37 -24.42 34.49 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.764 0.283 . . . . 1.0900000000000001 111.764 -174.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.99 -49.55 1.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.566 -0.826 . . . . 1.52 112.804 -176.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.289 -0.862 . . . . 5.0800000000000001 110.803 -177.823 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 109.946 -0.39 . . . . 20.350000000000001 109.946 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -76.4 -31.55 58.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.377 -0.374 . . . . 19.57 111.485 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 20.3 m -92.33 -38.79 11.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.448 0.642 . . . . 19.07 109.506 175.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . 0.402 ' HA3' HD12 ' A' ' 0' ' ' LEU . . . 149.94 161.72 10.02 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.185 -0.916 . . . . 16.289999999999999 111.482 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 29.1 p -60.88 -53.07 61.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.251 0.548 . . . . 14.32 110.019 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 1' ' ' MET . 37.3 tt0 -129.1 -84.2 0.56 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.361 -0.836 . . . . 12.4 108.969 172.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 0' ' ' LEU . . . . . 0.461 ' HB3' ' OG1' ' A' ' 49' ' ' THR . 78.7 mt 52.54 31.26 9.66 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.602 0.564 . . . . 12.09 111.828 176.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.466 ' H ' ' HG2' ' A' ' -1' ' ' GLU . 64.8 mtt -140.35 99.35 3.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.55 . . . . 10.27 109.752 -178.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.472 ' ND2' HD12 ' A' ' 45' ' ' LEU . 44.3 m-80 -141.62 111.87 6.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.305 -0.407 . . . . 7.4800000000000004 110.127 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -147.94 158.61 44.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.885 0.374 . . . . 3.8900000000000001 111.265 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.6 t -160.97 -45.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.769 -0.65 . . . . 3.4399999999999999 109.62 176.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -90.07 -43.51 10.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 4.54 111.382 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.3 -18.61 64.76 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.324 0.49 . . . . 2.0600000000000001 112.324 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.403 HG13 ' H ' ' A' ' 7' ' ' ILE . 4.9 mt -55.12 -32.32 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 1.3700000000000001 111.117 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 26.1 mmm180 -64.07 -44.5 92.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.361 -0.382 . . . . 4.2400000000000002 111.131 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.1 tpt -64.3 -38.6 91.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.999 0.428 . . . . 2.5099999999999998 110.638 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.7 tp -64.86 -29.03 69.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.669 -0.696 . . . . 0.64000000000000001 110.205 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -73.75 -45.91 49.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.415 -0.811 . . . . 2.02 109.904 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 36.3 mt-10 -70.48 -23.75 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.686 -0.688 . . . . 1.6699999999999999 111.346 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.68 -26.28 61.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.397 -0.365 . . . . 1.3400000000000001 110.578 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.51 22.63 5.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.421 -0.895 . . . . 0.62 113.676 174.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.641 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 52.2 m95 -90.76 131.0 36.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.12 0.46 . . . . 0.70999999999999996 110.42 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -110.25 147.18 34.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.871 -0.604 . . . . 4.4000000000000004 110.525 -172.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.8 tp -70.77 99.41 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.69999999999999996 110.32 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' A' ' 28' ' ' LYS . 21.4 m -94.68 -24.04 4.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.825 -0.625 . . . . 1.1299999999999999 111.738 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -150.5 131.95 14.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.04 0.448 . . . . 4.4000000000000004 111.066 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -100.05 149.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.895 -0.593 . . . . 1.8300000000000001 110.785 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.501 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 4.2 m -136.3 159.73 40.85 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.605 -0.887 . . . . 1.8100000000000001 108.605 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.07 -51.88 7.15 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 114.474 0.55 . . . . 1.4199999999999999 114.474 -174.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -107.1 -45.52 4.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 117.303 0.551 . . . . 2.6600000000000001 111.299 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.501 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -109.45 163.53 13.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.844 0.354 . . . . 0.81999999999999995 111.139 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -120.52 143.99 48.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.589 -0.278 . . . . 2.2799999999999998 110.685 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.483 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 7.4 t-80 -98.89 130.98 45.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.447 0.642 . . . . 3.2000000000000002 111.45 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.413 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 65.3 m-85 -110.9 140.82 45.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.909 -1.041 . . . . 1.46 110.381 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB3' HG21 ' A' ' 18' ' ' VAL . 37.6 ttmt -149.16 136.71 20.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.147 0.499 . . . . 1.8 110.503 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.411 ' C ' ' H ' ' A' ' 31' ' ' LYS . 69.8 t60 -106.1 131.54 21.64 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 107.975 -1.12 . . . . 1.52 107.975 175.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -67.61 36.53 0.16 Allowed 'Trans proline' 0 N--CA 1.483 0.869 0 C-N-CA 123.471 2.781 . . . . 1.6699999999999999 113.995 -175.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 29' ' ' HIS . 72.8 mmtt -140.77 -38.9 0.42 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.787 -0.82 . . . . 2.71 108.787 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -111.05 111.14 56.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.251 -0.886 . . . . 2.8100000000000001 110.086 176.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.79 50.07 2.65 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.97 2.447 . . . . 1.95 112.804 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.49 148.86 18.46 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.934 -0.651 . . . . 0.91000000000000003 111.868 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.464 HD12 ' NE2' ' A' ' 26' ' ' HIS . 2.7 tp -101.75 98.74 8.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.021 0.439 . . . . 1.5700000000000001 109.95 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.716 HG13 HG23 ' A' ' 53' ' ' ILE . 42.0 t -90.69 117.25 33.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.065 -0.516 . . . . 0.48999999999999999 109.657 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 m -112.18 103.95 12.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.326 -0.397 . . . . 0.89000000000000001 110.124 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.7 t -104.17 119.51 53.9 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 1.3600000000000001 111.975 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.07 154.34 25.44 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 123.761 2.974 . . . . 1.8400000000000001 111.318 171.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -76.66 147.35 78.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.593 -0.892 . . . . 4.6500000000000004 108.593 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -20.67 99.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 125.175 3.917 . . . . 3.8300000000000001 114.489 -171.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.521 ' HG2' ' H ' ' A' ' 43' ' ' LYS . 36.3 tttm -111.72 -164.72 0.93 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.874 -1.057 . . . . 6.5899999999999999 109.815 -173.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.521 ' H ' ' HG2' ' A' ' 42' ' ' LYS . 65.8 mttm -74.36 151.18 39.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.043 0.449 . . . . 6.2000000000000002 110.747 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -83.11 98.19 9.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.017 -0.538 . . . . 7.1100000000000003 109.669 177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 43.0 mt -110.65 168.7 7.22 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.519 -0.764 . . . . 5.4900000000000002 109.723 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 45' ' ' LEU . 83.6 Cg_exo -46.51 131.03 15.25 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.521 2.147 . . . . 5.2199999999999998 112.556 177.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.401 ' H ' HG13 ' A' ' 47' ' ' ILE . 2.4 pp -83.47 5.2 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.946 -0.57 . . . . 4.5499999999999998 112.037 -175.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.03 -41.22 99.66 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.906 -0.664 . . . . 3.3100000000000001 112.233 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.461 ' OG1' ' HB3' ' A' ' 0' ' ' LEU . 10.8 t -78.91 -27.45 43.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.497 0.665 . . . . 2.79 110.019 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.5 t -67.16 -20.88 27.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.145 -0.934 . . . . 1.76 110.802 176.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -56.41 -20.41 19.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.009 -0.542 . . . . 4.2300000000000004 111.382 173.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.7 t -62.08 -41.59 98.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.574 -0.528 . . . . 2.25 109.574 173.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.716 HG23 HG13 ' A' ' 36' ' ' VAL . 12.4 mt -71.36 -43.3 73.55 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.81999999999999995 109.702 176.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -67.1 -23.15 65.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.954 -0.566 . . . . 2.71 111.434 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 44.2 tttm -81.21 -50.95 8.95 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.759 -0.459 . . . . 3.2599999999999998 109.759 175.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.9 t -58.91 -43.08 91.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.03 -0.532 . . . . 1.1299999999999999 110.058 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -93.33 21.62 5.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.759 -0.655 . . . . 1.0900000000000001 110.839 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.59 -108.58 0.27 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.663 -0.779 . . . . 1.52 112.848 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 80.2 mt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.491 -0.766 . . . . 5.0800000000000001 111.465 -173.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.924 0.392 . . . . 20.350000000000001 110.1 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -109.81 161.64 15.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.01 -0.541 . . . . 19.57 110.176 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 13.0 t -167.21 151.37 6.8 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.103 -0.499 . . . . 19.07 109.694 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -166.62 159.51 32.87 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.496 -0.642 . . . . 16.289999999999999 111.496 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.3 m -91.78 79.4 5.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.192 0.52 . . . . 14.32 110.769 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -87.78 154.62 20.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.689 -0.687 . . . . 12.4 109.946 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 48.6 mt 62.07 22.92 13.46 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.067 0.547 . . . . 12.09 110.701 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt -122.01 105.09 9.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.853 -0.612 . . . . 10.27 109.941 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -80.5 57.48 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.697 0.761 . . . . 7.4800000000000004 110.139 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 t -126.34 -0.02 7.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.323 -0.853 . . . . 3.8900000000000001 109.516 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.502 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 48.9 m -155.56 12.86 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 3.4399999999999999 111.398 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 5' ' ' LYS . 28.6 mmtp -83.85 -56.66 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.698 0.285 . . . . 4.54 111.286 -176.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.15 -32.95 71.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.488 -0.56 . . . . 2.0600000000000001 109.488 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mt -64.15 -34.7 70.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.302 -0.863 . . . . 1.3700000000000001 111.017 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 4' ' ' SER . 0.9 OUTLIER -65.67 -47.62 74.88 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.339 -0.615 . . . . 4.2400000000000002 109.339 178.196 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.9 tpt -57.51 -48.02 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.813 -0.631 . . . . 2.5099999999999998 110.422 175.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.04 -40.89 67.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.023 -0.989 . . . . 0.64000000000000001 111.064 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -72.54 -44.76 61.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.864 -0.607 . . . . 2.02 111.035 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.0 pt-20 -75.24 -17.99 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.471 -0.331 . . . . 1.6699999999999999 111.692 -176.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.6 -18.23 61.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.956 0.408 . . . . 1.3400000000000001 110.512 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.46 -5.41 8.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.508 -0.853 . . . . 0.62 113.348 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -72.47 146.45 46.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.991 0.424 . . . . 0.70999999999999996 110.919 -177.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 3.8 mmp_? -114.78 139.11 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.127 -0.488 . . . . 4.4000000000000004 110.946 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.429 HD21 HG12 ' A' ' 20' ' ' VAL . 54.6 tp -73.09 96.65 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.164 -0.68 . . . . 0.69999999999999996 109.164 173.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.4 m -98.48 -20.87 5.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.961 -0.563 . . . . 1.1299999999999999 112.046 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' HB3' ' A' ' 26' ' ' HIS . 31.6 tpt180 -143.35 119.6 10.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.859 0.362 . . . . 4.4000000000000004 110.573 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.429 HG12 HD21 ' A' ' 17' ' ' LEU . 33.9 m -94.98 146.25 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.991 -0.55 . . . . 1.8300000000000001 110.961 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.643 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 8.3 m -149.95 158.61 44.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.125 -1.065 . . . . 1.8100000000000001 108.125 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.43 -66.24 2.51 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 121.356 -0.45 . . . . 1.4199999999999999 114.065 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 p -87.48 -37.41 16.98 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.353 0.501 . . . . 2.6600000000000001 112.353 -174.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.643 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -121.61 151.69 40.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.81999999999999995 111.815 -174.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -122.13 132.7 54.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.111 -0.495 . . . . 2.2799999999999998 110.07 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.547 ' NE2' HD12 ' A' ' 35' ' ' LEU . 7.2 t-80 -94.5 126.68 39.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.511 0.672 . . . . 3.2000000000000002 111.122 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -110.48 141.89 42.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.757 -1.11 . . . . 1.46 110.042 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -151.32 143.1 23.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.809 -0.632 . . . . 1.8 109.33 -178.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -102.42 129.31 26.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.228 -0.656 . . . . 1.52 109.228 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.46 50.98 1.06 Allowed 'Trans proline' 0 N--CA 1.478 0.564 0 C-N-CA 123.471 2.781 . . . . 1.6699999999999999 113.564 -176.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -166.58 -47.85 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.204 0.526 . . . . 2.71 109.749 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.75 132.99 20.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.638 -0.71 . . . . 2.8100000000000001 109.74 177.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -74.0 155.08 47.98 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.481 2.12 . . . . 1.95 111.856 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.22 129.33 1.3 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.773 -0.727 . . . . 0.91000000000000003 111.911 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.547 HD12 ' NE2' ' A' ' 26' ' ' HIS . 3.8 tp -99.54 98.5 9.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.877 0.37 . . . . 1.5700000000000001 110.142 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.844 HG13 HG23 ' A' ' 53' ' ' ILE . 38.6 t -91.38 99.66 10.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.285 -0.635 . . . . 0.48999999999999999 109.285 173.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.547 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 21.2 m -105.37 99.92 9.51 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.923 -0.58 . . . . 0.89000000000000001 109.887 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.414 HG22 HD13 ' A' ' 53' ' ' ILE . 22.4 t -95.28 106.72 27.88 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 116.11 -0.495 . . . . 1.3600000000000001 111.312 -175.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.547 ' HD3' ' O ' ' A' ' 37' ' ' THR . 1.4 Cg_endo -84.16 134.23 5.91 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.957 2.438 . . . . 1.8400000000000001 111.771 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -82.31 146.25 53.94 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 116.063 -0.517 . . . . 4.6500000000000004 110.336 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -35.69 98.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 124.625 3.55 . . . . 3.8300000000000001 114.11 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 43' ' ' LYS . 42.3 tptt 179.33 176.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.178 -1.416 . . . . 6.5899999999999999 107.178 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' H ' ' HG3' ' A' ' 42' ' ' LYS . 53.7 mtmt -74.97 114.45 13.47 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 120.099 -0.64 . . . . 6.2000000000000002 109.982 173.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -153.14 -169.91 3.46 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.611 -0.885 . . . . 7.1100000000000003 108.611 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mp -39.93 138.35 1.08 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 123.822 0.701 . . . . 5.4900000000000002 111.751 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -60.77 162.33 18.88 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.485 2.79 . . . . 5.2199999999999998 112.867 -174.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.3 pt -63.75 -10.91 7.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.205 -0.907 . . . . 4.5499999999999998 112.037 -176.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.32 -24.29 65.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.912 -0.661 . . . . 3.3100000000000001 111.464 172.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 53' ' ' ILE . 3.0 m -79.3 -32.98 43.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.36 0.6 . . . . 2.79 109.713 175.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.4 t -69.25 -45.74 78.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.514 -0.766 . . . . 1.76 111.579 -177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' C ' ' HD3' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -65.51 -18.47 65.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.059 0.457 . . . . 4.2300000000000004 110.269 176.488 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.413 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 26.2 t -78.54 -35.86 45.53 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.606 -0.516 . . . . 2.25 109.606 174.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.844 HG23 HG13 ' A' ' 36' ' ' VAL . 42.8 mt -61.88 -51.68 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 CA-C-O 121.003 0.43 . . . . 0.81999999999999995 110.315 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -61.72 -24.01 66.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.559 -0.746 . . . . 2.71 111.301 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -86.73 -52.8 5.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.549 -0.751 . . . . 3.2599999999999998 111.05 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.9 m -62.1 -39.84 93.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 1.1299999999999999 110.709 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.34 20.99 12.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.949 -0.569 . . . . 1.0900000000000001 110.562 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -155.89 -104.88 0.23 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 121.052 -0.594 . . . . 1.52 111.894 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.241 -0.885 . . . . 5.0800000000000001 110.143 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.805 0.336 . . . . 20.350000000000001 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -83.22 115.46 21.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.385 -0.37 . . . . 19.57 110.306 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 2.1 p -66.52 115.67 6.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.036 0.446 . . . . 19.07 110.085 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . 0.435 ' CA ' HD21 ' A' ' 0' ' ' LEU . . . -91.69 -98.59 1.3 Allowed Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.722 -0.751 . . . . 16.289999999999999 112.507 -175.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 40.4 m 63.44 82.36 0.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 122.829 0.452 . . . . 14.32 111.488 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 66.73 79.44 0.24 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.248 -0.887 . . . . 12.4 111.769 175.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' LEU . . . . . 0.435 HD21 ' CA ' ' A' ' -3' ' ' GLY . 2.3 mm? -96.21 64.79 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.52 -0.548 . . . . 12.09 109.52 176.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? 64.96 89.48 0.09 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.906 -0.588 . . . . 10.27 109.722 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -117.74 -3.71 11.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.958 -0.565 . . . . 7.4800000000000004 111.163 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m 55.83 22.45 5.59 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.203 0.601 . . . . 3.8900000000000001 112.017 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.49 ' HA ' ' HB ' ' A' ' 7' ' ' ILE . 40.8 m -90.04 67.86 7.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.119 0.485 . . . . 3.4399999999999999 110.903 -174.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 33.9 mmtp -85.93 -64.7 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.939 -0.573 . . . . 4.54 109.973 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.09 -23.04 41.56 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.71 -0.478 . . . . 2.0600000000000001 109.71 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' A' ' 4' ' ' SER . 53.3 mt -66.34 -23.91 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.607 -0.724 . . . . 1.3700000000000001 109.414 173.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 20.3 tpt180 -69.61 -45.72 67.92 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.645 -0.707 . . . . 4.2400000000000002 110.029 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.411 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.0 ttp -60.31 -42.42 95.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.16 0.505 . . . . 2.5099999999999998 109.881 176.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 tp -54.15 -42.63 69.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.148 -0.933 . . . . 0.64000000000000001 110.883 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -72.56 -48.27 41.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.223 -0.444 . . . . 2.02 110.899 -175.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 9' ' ' MET . 12.9 pt-20 -72.98 -6.02 42.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.401 . . . . 1.6699999999999999 111.481 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -73.84 -15.27 61.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.518 0.675 . . . . 1.3400000000000001 109.754 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.27 23.89 2.82 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.745 -0.741 . . . . 0.62 112.484 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 82.5 m95 -102.05 165.67 11.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.915 0.388 . . . . 0.70999999999999996 111.312 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -136.86 137.63 39.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.958 -0.564 . . . . 4.4000000000000004 110.089 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.1 tp -76.23 106.53 7.9 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.519 -0.548 . . . . 0.69999999999999996 109.519 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 m -94.5 -37.27 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 111.821 0.304 . . . . 1.1299999999999999 111.821 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -143.73 151.46 40.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 4.4000000000000004 110.662 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.7 t -131.64 124.56 54.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.129 -0.487 . . . . 1.8300000000000001 110.522 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.421 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 32.0 p -119.89 99.42 6.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.859 0.361 . . . . 1.8100000000000001 110.243 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.36 -101.04 0.71 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.588 -0.815 . . . . 1.4199999999999999 111.498 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -120.41 11.45 11.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.366 0.603 . . . . 2.6600000000000001 109.66 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HB3' ' OG1' ' A' ' 21' ' ' THR . . . -90.52 113.23 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.829 -0.623 . . . . 0.81999999999999995 111.01 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 37' ' ' THR . 3.0 m80 -84.25 114.81 22.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.644 -0.707 . . . . 2.2799999999999998 109.464 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -99.44 109.48 22.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.743 0.306 . . . . 3.2000000000000002 110.215 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 49.9 m-85 -100.82 138.32 38.03 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.108 -0.496 . . . . 1.46 111.244 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HD2' HD11 ' A' ' 35' ' ' LEU . 82.5 tttt -157.02 117.82 3.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.781 -0.645 . . . . 1.8 110.947 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.417 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 14.4 t-80 -113.02 129.23 24.71 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 115.697 -0.683 . . . . 1.52 109.522 173.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 56.9 Cg_endo -67.12 68.28 0.6 Allowed 'Trans proline' 0 N--CA 1.479 0.659 0 C-N-CA 123.352 2.701 . . . . 1.6699999999999999 112.337 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.0 tttp 177.41 -25.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.691 -1.14 . . . . 2.71 108.123 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 29.9 mmtp -98.25 174.18 3.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 114.758 -1.11 . . . . 2.8100000000000001 110.233 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 32' ' ' LYS . 50.7 Cg_exo -59.41 -147.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.288 2.659 . . . . 1.95 114.176 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.72 -155.49 3.67 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.874 -0.603 . . . . 0.91000000000000003 113.496 -176.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD11 ' HD2' ' A' ' 28' ' ' LYS . 11.2 mp -87.68 125.87 34.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.981 0.42 . . . . 1.5700000000000001 111.306 -176.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.515 HG21 ' HB2' ' A' ' 57' ' ' ALA . 38.4 t -90.84 110.52 22.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.262 -0.644 . . . . 0.48999999999999999 109.262 172.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 28.9 m -106.16 108.45 19.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.215 -0.448 . . . . 0.89000000000000001 110.626 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.1 t -113.14 97.59 43.11 Favored Pre-proline 0 C--N 1.324 -0.52 0 C-N-CA 121.032 -0.267 . . . . 1.3600000000000001 110.735 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 15.3 Cg_endo -97.9 96.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.172 2.581 . . . . 1.8400000000000001 111.375 170.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -155.24 89.58 3.03 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.407 -0.36 . . . . 4.6500000000000004 110.992 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -84.89 97.22 0.66 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.072 1.848 . . . . 3.8300000000000001 111.135 173.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.62 ' HG2' ' H ' ' A' ' 43' ' ' LYS . 58.0 tttm -179.95 -170.54 0.15 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.074 -0.713 . . . . 6.5899999999999999 109.074 -171.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.62 ' H ' ' HG2' ' A' ' 42' ' ' LYS . 97.5 mttt -73.76 -174.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.954 -0.387 . . . . 6.2000000000000002 109.954 172.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -54.25 132.14 42.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.474 0.654 . . . . 7.1100000000000003 111.427 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 46' ' ' PRO . 24.6 tp -76.82 139.82 66.67 Favored Pre-proline 0 N--CA 1.436 -1.165 0 CA-C-N 115.219 -0.9 . . . . 5.4900000000000002 110.545 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' HD12 ' A' ' 45' ' ' LEU . 73.2 Cg_exo -51.91 136.17 51.56 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.589 2.193 . . . . 5.2199999999999998 111.684 173.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 35.0 pt -64.98 -21.47 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.834 -0.621 . . . . 4.5499999999999998 112.216 -172.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.65 -43.26 96.34 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.87 -0.681 . . . . 3.3100000000000001 112.11 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.3 m -75.79 -28.48 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.383 0.611 . . . . 2.79 110.326 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.5 t -75.9 -24.79 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 1.76 111.144 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 10.4 mmmm -59.04 -29.19 67.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.576 0.227 . . . . 4.2300000000000004 111.47 176.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 m -67.61 -35.22 78.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.309 0.576 . . . . 2.25 109.769 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.46 HG23 HG13 ' A' ' 36' ' ' VAL . 20.1 mt -71.7 -43.76 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.615 -0.72 . . . . 0.81999999999999995 109.633 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -62.13 -14.04 33.06 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.715 -0.675 . . . . 2.71 111.796 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -57.46 -53.11 61.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.496 -0.557 . . . . 3.2599999999999998 109.496 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.6 m -91.55 -38.91 12.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 1.1299999999999999 110.883 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.515 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -90.76 15.29 11.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.871 -0.604 . . . . 1.0900000000000001 111.871 -174.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -131.35 -61.18 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.481 -0.866 . . . . 1.52 111.68 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 119.094 -0.479 . . . . 5.0800000000000001 110.151 -178.324 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 111.154 0.057 . . . . 20.350000000000001 111.154 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -128.61 138.64 52.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.022 0.439 . . . . 19.57 111.119 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 3.9 p -79.52 83.43 5.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.681 -0.691 . . . . 19.07 110.707 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -112.22 158.55 14.24 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.858 -0.687 . . . . 16.289999999999999 112.034 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 28.7 t -146.45 34.29 0.96 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.226 0.536 . . . . 14.32 109.88 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -83.5 77.81 9.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 12.4 110.331 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 88.9 mt -123.28 -92.68 0.53 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.786 -0.643 . . . . 12.09 109.79 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? 50.75 44.41 27.83 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.558 0.537 . . . . 10.27 110.998 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 p30 40.21 72.76 0.14 Allowed 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.219 0.95 . . . . 7.4800000000000004 111.624 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 m -54.68 104.55 0.12 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.223 -0.899 . . . . 3.8900000000000001 111.352 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.3 p -68.1 -19.17 64.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 3.4399999999999999 110.785 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -46.5 -49.83 17.89 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.675 -0.693 . . . . 4.54 111.347 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.21 -43.05 92.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.328 -0.851 . . . . 2.0600000000000001 111.151 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.506 HG12 HG11 ' A' ' 38' ' ' VAL . 77.3 mt -69.98 -41.27 79.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.029 -0.532 . . . . 1.3700000000000001 110.735 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 58.6 mtp180 -65.45 -43.43 90.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.444 -0.344 . . . . 4.2400000000000002 110.769 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 37.2 ttm -56.57 -46.87 80.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 2.5099999999999998 110.469 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.95 -37.2 83.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.842 -1.072 . . . . 0.64000000000000001 110.688 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.13 -58.66 7.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.346 -0.843 . . . . 2.02 111.036 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.1 pt-20 -70.32 -11.69 61.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 1.6699999999999999 111.95 -173.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -75.73 -24.88 56.19 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.81 -0.441 . . . . 1.3400000000000001 109.81 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.6 5.98 10.77 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.742 . . . . 0.62 113.643 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -79.27 141.33 37.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.202 0.501 . . . . 0.70999999999999996 111.332 -177.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -113.19 151.0 31.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.783 -0.644 . . . . 4.4000000000000004 110.091 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.72 108.76 4.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.332 -0.618 . . . . 0.69999999999999996 109.332 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -93.98 -28.78 4.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.029 -0.532 . . . . 1.1299999999999999 110.997 -170.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.517 ' HB3' ' HB2' ' A' ' 26' ' ' HIS . 30.8 ttm180 -138.7 118.64 13.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.758 -0.46 . . . . 4.4000000000000004 109.758 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -87.2 123.99 40.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.762 -0.653 . . . . 1.8300000000000001 110.323 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.617 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 26.1 m -149.99 128.27 12.09 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.649 -0.705 . . . . 1.8100000000000001 109.325 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.14 -20.09 72.68 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.108 -0.568 . . . . 1.4199999999999999 112.719 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.489 ' H ' HG22 ' A' ' 21' ' ' THR . 16.3 m -82.32 -33.65 28.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.731 0.301 . . . . 2.6600000000000001 111.125 178.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.617 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -162.08 133.7 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.364 -0.38 . . . . 0.81999999999999995 110.124 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -91.94 118.23 30.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.863 0.363 . . . . 2.2799999999999998 110.03 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 90.0 m-70 -101.24 115.03 29.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 3.2000000000000002 111.146 -174.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -101.1 147.54 26.11 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.663 -0.699 . . . . 1.46 110.485 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HB3' HG21 ' A' ' 18' ' ' VAL . 87.3 tttt -152.0 135.67 16.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.0 0.428 . . . . 1.8 110.925 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -109.09 100.65 41.48 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.121 -1.066 . . . . 1.52 108.121 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.59 -13.11 7.35 Favored 'Trans proline' 0 N--CA 1.481 0.739 0 C-N-CA 123.645 2.897 . . . . 1.6699999999999999 114.844 -169.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -78.26 -27.76 47.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.328 0.585 . . . . 2.71 109.484 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -111.37 143.24 28.06 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.471 -0.786 . . . . 2.8100000000000001 110.508 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.22 60.18 7.7 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.397 2.065 . . . . 1.95 112.117 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.88 137.15 7.52 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.437 -0.887 . . . . 0.91000000000000003 112.673 -177.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 tt -122.38 129.14 51.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.501 -0.555 . . . . 1.5700000000000001 109.501 175.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 57' ' ' ALA . 54.8 t -103.39 129.06 55.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.135 -0.484 . . . . 0.48999999999999999 110.938 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.6 m -105.07 103.32 12.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.535 -0.302 . . . . 0.89000000000000001 110.321 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.506 HG11 HG12 ' A' ' 7' ' ' ILE . 92.8 t -86.01 132.23 44.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 1.3600000000000001 110.335 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 11.3 Cg_exo -71.86 148.45 51.93 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.503 2.136 . . . . 1.8400000000000001 111.485 176.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.409 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 7.6 p-80 -89.3 175.98 3.52 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.851 -0.613 . . . . 4.6500000000000004 110.064 -175.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 83.2 Cg_exo -51.22 -177.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.744 2.296 . . . . 3.8300000000000001 113.557 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm 32.77 -162.09 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.94 -0.573 . . . . 6.5899999999999999 112.473 -160.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -73.98 147.62 42.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.155 0.502 . . . . 6.2000000000000002 111.205 -176.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -157.14 -169.12 2.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.492 -0.776 . . . . 7.1100000000000003 109.312 -172.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 95.1 mt -38.73 132.1 1.09 Allowed Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 123.604 0.761 . . . . 5.4900000000000002 111.692 176.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 45' ' ' LEU . 37.2 Cg_exo -60.78 -176.17 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.61 2.873 . . . . 5.2199999999999998 114.573 -176.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 47' ' ' ILE . 3.0 mp -61.92 -29.28 46.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.633 -0.712 . . . . 4.5499999999999998 111.232 -175.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -53.27 -36.88 53.9 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.194 -0.526 . . . . 3.3100000000000001 112.884 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.3 m -72.93 -31.53 64.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.522 . . . . 2.79 110.595 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.5 t -72.62 -33.44 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.816 -0.629 . . . . 1.76 110.488 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 51' ' ' LYS . 12.8 mmmm -62.25 -34.49 76.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.299 -0.409 . . . . 4.2300000000000004 110.299 175.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.4 m -63.58 -33.83 76.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.983 -0.553 . . . . 2.25 110.076 175.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.441 HG23 ' CG1' ' A' ' 36' ' ' VAL . 14.8 mt -67.3 -46.02 84.78 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.269 0 N-CA-C 109.567 -0.531 . . . . 0.81999999999999995 109.567 175.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -58.1 -36.0 72.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 2.71 110.684 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' A' ' 55' ' ' LYS . 9.2 mtpm? -76.26 -52.19 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 3.2599999999999998 111.864 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 m -74.02 -38.61 64.0 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.292 0.478 . . . . 1.1299999999999999 112.292 -173.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -89.7 -27.93 19.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.913 0.387 . . . . 1.0900000000000001 111.048 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.06 -41.79 6.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 1.52 112.299 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.869 -0.586 . . . . 5.0800000000000001 111.056 179.289 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.4 tttm . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.155 0.503 . . . . 4.54 110.503 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.49 -18.6 63.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.813 -0.63 . . . . 2.06 111.351 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.3 mt -66.7 -31.43 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.333 0.587 . . . . 1.37 109.689 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 94.0 mtt180 -66.35 -35.36 80.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.72 -0.673 . . . . 4.24 110.002 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 56.1 ttp -63.72 -35.17 79.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.565 . . . . 2.51 110.362 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 58.4 tp -60.46 -34.24 73.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.545 -0.752 . . . . 0.64 110.175 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -75.08 -40.91 59.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.79 -0.641 . . . . 2.02 110.29 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 43.7 mt-10 -73.95 -21.72 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.709 -0.678 . . . . 1.67 111.726 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -72.25 -18.24 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.198 0.523 . . . . 1.34 110.529 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.1 9.81 17.25 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.427 -0.892 . . . . 0.62 112.626 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 58.6 m95 -73.96 133.35 43.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.593 -0.521 . . . . 0.71 109.593 176.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -117.09 140.62 49.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.014 0.435 . . . . 4.4 110.979 -175.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.3 tp -73.16 99.7 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.342 -0.844 . . . . 0.7 110.037 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.02 -16.32 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.856 0.36 . . . . 1.13 111.274 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HB3' ' HB2' ' A' ' 26' ' ' HIS . 27.2 tpt180 -141.4 114.76 8.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.968 0.414 . . . . 4.4 110.044 177.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.71 134.93 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.623 -0.717 . . . . 1.83 110.459 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.634 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 95.1 m -143.49 154.19 43.38 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.21 -0.663 . . . . 1.81 109.21 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.2 -56.56 5.3 Favored Glycine 0 C--N 1.334 0.432 0 O-C-N 123.6 0.562 . . . . 1.42 113.668 -175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.595 ' O ' ' HA ' ' A' ' 39' ' ' PRO . 19.8 m -112.21 -34.23 5.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.967 0.383 . . . . 2.66 111.509 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.634 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -88.96 115.46 26.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.303 0.573 . . . . 0.82 112.319 -172.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 37' ' ' THR . 76.7 m80 -91.27 115.12 27.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.532 -0.758 . . . . 2.28 109.644 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 72.8 m80 -94.56 106.01 17.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.936 0.398 . . . . 3.2 110.075 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.573 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 77.9 m-85 -101.15 141.86 33.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.734 -0.667 . . . . 1.46 111.983 -175.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 23.1 tptm -131.42 137.02 48.47 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.526 -0.761 . . . . 1.8 109.348 174.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -105.63 119.17 53.48 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.682 -0.488 . . . . 1.52 109.682 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.11 68.25 1.9 Allowed 'Trans proline' 0 N--CA 1.478 0.57 0 C-N-CA 123.543 2.829 . . . . 1.67 113.029 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -177.67 -42.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.169 -0.678 . . . . 2.71 109.169 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HE2' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -112.24 139.55 22.62 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.595 -0.73 . . . . 2.81 110.979 178.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.78 61.0 6.16 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.827 2.351 . . . . 1.95 112.21 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.402 ' O ' ' HD2' ' A' ' 28' ' ' LYS . . . -129.24 139.84 11.27 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.853 -0.689 . . . . 0.91 111.931 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 27' ' ' PHE . 18.8 tp -119.28 118.03 30.16 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.752 -0.462 . . . . 1.57 109.752 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.438 HG21 ' HB2' ' A' ' 57' ' ' ALA . 25.5 t -105.46 124.28 60.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.865 0.364 . . . . 0.49 110.363 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.489 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 39.3 m -113.92 103.0 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.4 -0.364 . . . . 0.89 110.749 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 53' ' ' ILE . 37.4 t -103.83 102.74 32.99 Favored Pre-proline 0 C--O 1.236 0.345 0 N-CA-C 111.938 0.347 . . . . 1.36 111.938 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.595 ' HA ' ' O ' ' A' ' 23' ' ' SER . 8.7 Cg_exo -73.6 111.53 3.31 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.855 2.37 . . . . 1.84 110.634 167.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.857 -0.611 . . . . 4.65 111.673 -173.211 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.417 HD13 HG22 ' A' ' 38' ' ' VAL . 28.6 mt . . . . . 0 C--O 1.227 -0.103 0 CA-C-O 120.872 0.367 . . . . 0.82 110.051 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -60.13 -22.49 62.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 2.71 111.846 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.87 -39.07 83.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.978 0.418 . . . . 3.26 109.897 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.535 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 15.5 m -86.7 -34.23 19.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.089 -0.505 . . . . 1.13 110.777 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.579 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -82.48 -30.04 30.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 1.09 112.058 -175.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 C-N-CA 120.626 -0.797 . . . . 1.52 113.115 -175.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.159 0.504 . . . . 4.54 111.742 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.7 mt -66.8 -39.59 87.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.548 -0.751 . . . . 2.06 110.806 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.4 mt -69.06 -38.01 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 1.37 109.757 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 79.0 ttt180 -59.08 -55.43 35.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 4.24 111.243 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.7 ptm -66.28 -25.74 67.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.194 0.521 . . . . 2.51 110.94 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.426 HD22 HG11 ' A' ' 36' ' ' VAL . 50.4 tp -75.55 -42.38 52.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.454 -0.794 . . . . 0.64 110.322 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.59 -37.8 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.67 -0.695 . . . . 2.02 110.728 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 48.8 mt-10 -72.42 -16.59 61.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 1.67 111.905 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -81.05 -13.65 58.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 1.34 110.382 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.25 24.21 8.57 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.508 -0.854 . . . . 0.62 113.551 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -83.26 172.63 12.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.954 0.377 . . . . 0.71 110.676 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -135.63 137.09 41.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.454 -0.339 . . . . 4.4 110.584 -177.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 25' ' ' HIS . 54.1 tp -74.31 109.05 7.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.174 -0.466 . . . . 0.7 109.908 176.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 m -99.6 -24.96 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 112.454 0.539 . . . . 1.13 112.454 -174.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -161.73 124.22 2.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 4.4 111.334 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.405 ' CG2' HD21 ' A' ' 17' ' ' LEU . 39.4 t -99.91 104.58 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.276 -0.42 . . . . 1.83 110.007 175.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -100.11 97.62 8.43 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.801 -0.444 . . . . 1.81 109.801 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.29 -112.92 5.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.707 -0.758 . . . . 1.42 112.012 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -99.46 -9.01 23.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.164 0.507 . . . . 2.66 109.922 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.62 99.07 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.319 0.58 . . . . 0.82 110.884 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.558 ' NE2' ' HB ' ' A' ' 38' ' ' VAL . 9.6 p-80 -88.94 131.6 35.07 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.891 -0.595 . . . . 2.28 110.102 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' HB3' HD11 ' A' ' 35' ' ' LEU . 78.7 m80 -101.11 123.4 45.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.606 -0.725 . . . . 3.2 111.33 -174.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -101.12 135.04 43.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.692 -0.686 . . . . 1.46 110.355 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -153.69 149.37 27.45 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.911 -0.586 . . . . 1.8 109.711 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.485 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 13.7 t-80 -110.49 137.94 20.83 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.712 -0.848 . . . . 1.52 108.712 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.485 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 54.4 Cg_endo -68.83 56.31 1.0 Allowed 'Trans proline' 0 N--CA 1.476 0.477 0 C-N-CA 123.023 2.482 . . . . 1.67 112.927 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 tptp 179.97 -26.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.451 -0.795 . . . . 2.71 109.279 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -110.08 128.51 25.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.66 -0.7 . . . . 2.81 110.453 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -82.2 17.78 1.52 Allowed 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.829 2.353 . . . . 1.95 112.434 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.02 97.65 2.08 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.974 -0.631 . . . . 0.91 111.873 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 26' ' ' HIS . 32.5 tp -89.9 106.12 18.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.997 0.427 . . . . 1.57 110.107 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.716 HG13 HG23 ' A' ' 53' ' ' ILE . 53.4 t -91.65 117.35 34.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.997 -0.547 . . . . 0.49 110.917 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.9 m -101.65 107.56 18.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.821 -0.627 . . . . 0.89 110.29 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 16.6 t -109.69 99.66 38.95 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.653 0.263 . . . . 1.36 110.522 177.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -91.43 151.27 3.61 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 123.47 2.78 . . . . 1.84 112.232 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.639 -0.255 . . . . 4.65 110.903 175.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.716 HG23 HG13 ' A' ' 36' ' ' VAL . 42.0 mt . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 110.347 -0.242 . . . . 0.82 110.347 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -52.24 -56.57 13.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 2.71 111.533 -175.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -62.0 -25.6 67.74 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.705 0.261 . . . . 3.26 111.705 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.4 m -86.56 -33.9 20.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.712 0.291 . . . . 1.13 111.09 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.479 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -83.25 0.33 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.109 0.481 . . . . 1.09 111.076 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.955 -0.641 . . . . 1.52 112.417 176.563 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.755 0.312 . . . . 4.54 111.34 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.84 -26.61 67.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.421 . . . . 2.06 110.758 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt -80.03 -25.81 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.186 -0.461 . . . . 1.37 110.482 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.98 -48.61 75.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.394 . . . . 4.24 110.693 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -68.25 -23.29 64.77 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.468 0.651 . . . . 2.51 110.342 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.3 tp -79.01 -51.9 8.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.125 -0.943 . . . . 0.64 110.973 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.09 -39.39 85.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.524 -0.762 . . . . 2.02 111.873 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.74 -16.43 64.13 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.734 0.642 . . . . 1.67 112.734 -173.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -75.95 -26.01 56.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.072 0.463 . . . . 1.34 110.206 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.51 3.6 7.17 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.573 -0.822 . . . . 0.62 112.533 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.531 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 93.7 m95 -70.86 134.17 47.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 0.71 110.387 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -117.97 149.41 40.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.032 -0.531 . . . . 4.4 109.884 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.423 ' CD2' HG22 ' A' ' 20' ' ' VAL . 54.6 tp -75.51 109.79 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.085 -0.507 . . . . 0.7 110.226 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 m -94.38 -38.39 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.459 -0.337 . . . . 1.13 111.428 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.489 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 5.1 mmp_? -120.68 113.35 20.08 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.753 0.311 . . . . 4.4 110.352 178.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' A' ' 17' ' ' LEU . 27.8 t -88.25 103.19 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.97 -0.559 . . . . 1.83 110.287 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 22.9 m -117.81 132.77 56.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.842 -0.617 . . . . 1.81 109.817 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.17 55.04 3.57 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.339 -0.458 . . . . 1.42 113.302 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 p -167.92 -55.05 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.144 -0.687 . . . . 2.66 109.144 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' A' ' 39' ' ' PRO . . . -132.85 128.11 35.93 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.984 -1.007 . . . . 0.82 110.032 176.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.422 ' HB2' HG23 ' A' ' 38' ' ' VAL . 37.0 m170 -87.06 131.93 33.97 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.085 -0.507 . . . . 2.28 110.001 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.489 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 73.9 m80 -105.84 114.39 28.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 3.2 109.974 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.444 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.5 m-85 -102.68 142.79 33.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.646 -0.706 . . . . 1.46 111.381 -177.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -157.11 134.95 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.519 -0.764 . . . . 1.8 110.083 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.486 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 16.2 t-80 -111.06 129.46 23.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.213 -0.662 . . . . 1.52 109.213 174.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.486 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 98.1 Cg_endo -71.37 51.9 1.48 Allowed 'Trans proline' 0 N--CA 1.481 0.764 0 C-N-CA 123.675 2.917 . . . . 1.67 113.73 -175.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -161.22 -41.0 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.361 -0.381 . . . . 2.71 110.126 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -107.99 127.52 27.48 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.378 -0.374 . . . . 2.81 110.378 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.78 138.47 37.81 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.734 2.289 . . . . 1.95 112.575 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.26 141.71 3.8 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.821 -0.705 . . . . 0.91 111.906 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.2 tp -119.16 114.4 22.39 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.7 -0.482 . . . . 1.57 109.7 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.837 HG13 HG23 ' A' ' 53' ' ' ILE . 42.0 t -95.2 122.18 46.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.053 -0.521 . . . . 0.49 110.718 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.4 m -111.01 100.03 8.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.944 -0.571 . . . . 0.89 110.36 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.422 HG23 ' HB2' ' A' ' 25' ' ' HIS . 2.7 m -103.88 109.3 62.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 121.132 0.492 . . . . 1.36 110.898 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 83.6 Cg_endo -85.15 148.81 10.51 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.952 2.435 . . . . 1.84 112.682 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.2 m170 . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 115.792 -0.64 . . . . 4.65 109.921 175.091 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.837 HG23 HG13 ' A' ' 36' ' ' VAL . 44.2 mt . . . . . 0 CA--C 1.519 -0.215 0 N-CA-C 109.399 -0.593 . . . . 0.82 109.399 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.17 -36.43 79.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.58 -0.736 . . . . 2.71 111.103 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.71 -30.45 64.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.367 -0.378 . . . . 3.26 111.235 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -86.24 -41.4 14.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.974 0.416 . . . . 1.13 110.949 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.531 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -82.29 -31.4 30.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.993 -0.549 . . . . 1.09 112.243 -174.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.268 -0.967 . . . . 1.52 113.04 -176.184 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.654 0.264 . . . . 4.54 110.78 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.57 -49.69 75.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 2.06 110.701 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.3 mm -70.34 -36.66 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 1.37 110.055 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.546 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 32.8 tpt180 -61.93 -49.71 75.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.072 -0.513 . . . . 4.24 110.744 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 tpt -57.42 -44.92 85.04 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.344 0.593 . . . . 2.51 110.549 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.79 -35.05 78.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.969 -1.014 . . . . 0.64 110.379 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -71.76 -41.88 67.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.237 -0.892 . . . . 2.02 110.9 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 41.8 mt-10 -67.39 -33.89 76.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.912 -0.585 . . . . 1.67 112.164 -175.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.73 -22.37 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 1.34 110.582 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.48 25.35 2.93 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.3 -0.952 . . . . 0.62 113.343 175.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.455 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 68.0 m95 -100.08 139.41 35.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.959 0.379 . . . . 0.71 110.661 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -127.37 157.93 38.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.172 -0.467 . . . . 4.4 109.995 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 25' ' ' HIS . 57.8 tp -70.98 125.34 26.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.692 -0.685 . . . . 0.7 111.046 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.4 m -113.76 -36.57 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.768 0.285 . . . . 1.13 111.768 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -143.17 141.95 31.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 4.4 110.89 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.406 ' CG2' HD21 ' A' ' 17' ' ' LEU . 41.1 t -121.32 125.75 74.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.403 -0.362 . . . . 1.83 110.601 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.1 p -125.14 100.88 6.75 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.753 -0.462 . . . . 1.81 109.753 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.24 -112.99 5.44 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.137 -0.554 . . . . 1.42 112.012 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 m -106.09 -0.12 25.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.038 0.447 . . . . 2.66 110.375 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.53 120.25 36.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.995 -0.548 . . . . 0.82 110.377 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.436 ' HB3' HD13 ' A' ' 17' ' ' LEU . 12.1 m170 -100.05 127.37 46.28 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.899 -0.591 . . . . 2.28 110.244 -177.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.521 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 71.5 m-70 -99.42 121.74 41.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.101 0.477 . . . . 3.2 110.107 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 25.0 m-85 -108.25 144.22 36.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.394 -0.821 . . . . 1.46 110.055 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -157.66 125.09 5.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.55 0.691 . . . . 1.8 111.62 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -112.41 112.05 51.99 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 114.761 -1.108 . . . . 1.52 108.649 176.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.16 -11.58 13.34 Favored 'Trans proline' 0 N--CA 1.478 0.597 0 C-N-CA 123.282 2.655 . . . . 1.67 114.609 -171.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -85.79 -30.71 22.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 2.71 110.214 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -110.6 120.02 44.95 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 2.81 110.114 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.24 84.69 0.45 Allowed 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.702 2.268 . . . . 1.95 112.891 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.44 147.26 13.53 Favored Glycine 0 N--CA 1.439 -1.129 0 C-N-CA 120.247 -0.978 . . . . 0.91 112.43 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.0 tp -122.54 114.66 20.97 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.356 -0.609 . . . . 1.57 109.356 172.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.765 HG13 HG23 ' A' ' 53' ' ' ILE . 40.9 t -100.97 135.71 35.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.114 -0.494 . . . . 0.49 110.945 -177.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.8 m -124.12 99.08 6.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.251 -0.431 . . . . 0.89 109.867 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG12 HD13 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -99.67 112.93 64.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.526 . . . . 1.36 111.549 -179.368 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -88.35 149.84 6.56 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.15 2.567 . . . . 1.84 111.715 174.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 116.336 -0.393 . . . . 4.65 110.321 178.895 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.765 HG23 HG13 ' A' ' 36' ' ' VAL . 57.1 mt . . . . . 0 CA--C 1.519 -0.247 0 N-CA-C 109.982 -0.377 . . . . 0.82 109.982 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -59.42 -36.48 75.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 2.71 111.132 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -59.79 -48.13 82.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.969 -0.559 . . . . 3.26 110.623 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -79.74 -46.53 16.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.087 -0.506 . . . . 1.13 111.656 -175.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.521 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -70.57 -28.74 65.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.906 0.384 . . . . 1.09 111.357 -177.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 C-N-CA 120.731 -0.747 . . . . 1.52 112.508 -179.371 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.4 tmtt? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.757 0.313 . . . . 4.54 110.785 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.51 -37.73 68.28 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.972 -0.381 . . . . 2.06 109.972 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.45 -36.56 75.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 1.37 109.79 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 55.6 ttp180 -59.62 -48.59 81.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.522 -0.763 . . . . 4.24 110.572 177.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.5 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 59.7 mtp -61.35 -49.17 78.03 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.285 0.564 . . . . 2.51 109.797 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.0 tp -52.27 -32.86 39.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.554 -1.203 . . . . 0.64 110.847 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -80.61 -53.35 6.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.054 -0.521 . . . . 2.02 110.849 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 10.6 pt-20 -72.84 -13.32 61.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.387 -0.37 . . . . 1.67 111.568 -176.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.23 -24.4 67.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.106 0.479 . . . . 1.34 110.068 175.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.1 -8.01 7.61 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.646 -0.788 . . . . 0.62 112.901 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.546 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 84.7 m95 -65.07 135.78 55.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.958 0.408 . . . . 0.71 109.986 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -109.28 142.92 39.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.331 -0.395 . . . . 4.4 110.553 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.502 HD11 ' HB ' ' A' ' 20' ' ' VAL . 43.3 tp -74.25 99.38 3.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.746 -0.464 . . . . 0.7 109.746 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 m -93.98 -33.39 5.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.251 -0.431 . . . . 1.13 111.045 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -141.84 137.27 31.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.405 -0.361 . . . . 4.4 110.069 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.502 ' HB ' HD11 ' A' ' 17' ' ' LEU . 1.4 p -140.12 106.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.471 0.653 . . . . 1.83 110.421 177.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 p -111.92 98.79 7.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.718 -0.674 . . . . 1.81 110.726 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.49 -126.6 19.09 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.815 -0.707 . . . . 1.42 111.975 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -82.73 -32.78 27.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.928 0.394 . . . . 2.66 110.641 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.9 117.93 23.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.155 -0.475 . . . . 0.82 110.7 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.425 ' HB2' HD11 ' A' ' 17' ' ' LEU . 10.9 p-80 -123.72 135.71 54.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.134 -0.485 . . . . 2.28 111.394 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.607 ' NE2' ' HB2' ' A' ' 28' ' ' LYS . 2.2 t-160 -97.14 125.15 41.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.531 -0.759 . . . . 3.2 111.428 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.536 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 42.4 m-85 -100.76 134.93 43.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.761 -1.109 . . . . 1.46 109.88 174.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.607 ' HB2' ' NE2' ' A' ' 26' ' ' HIS . 85.9 tttt -148.38 133.27 18.06 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.304 -0.407 . . . . 1.8 110.03 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.463 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 18.6 t-80 -109.79 127.6 26.85 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.571 -0.9 . . . . 1.52 108.571 176.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 56.8 Cg_endo -67.27 58.09 0.64 Allowed 'Trans proline' 0 N--CA 1.481 0.766 0 C-N-CA 123.505 2.803 . . . . 1.67 113.416 -176.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -176.2 -28.03 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.428 -0.805 . . . . 2.71 108.984 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -101.23 120.18 55.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 2.81 110.325 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -76.6 111.9 3.34 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.046 1.831 . . . . 1.95 111.273 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.24 145.53 4.97 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.073 -1.06 . . . . 0.91 112.668 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.573 HD12 ' NE2' ' A' ' 26' ' ' HIS . 9.1 tp -111.2 99.12 8.01 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.953 -0.388 . . . . 1.57 109.953 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.617 HG13 HG23 ' A' ' 53' ' ' ILE . 68.8 t -98.3 99.3 8.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.82 -0.437 . . . . 0.49 109.82 176.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 28.1 m -111.07 102.99 11.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.216 -0.447 . . . . 0.89 109.962 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.2 t -103.04 114.49 65.16 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.217 -0.447 . . . . 1.36 110.937 -175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -89.61 150.07 5.17 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.056 2.504 . . . . 1.84 111.856 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.7 p80 . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.389 0.614 . . . . 4.65 110.714 177.915 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.617 HG23 HG13 ' A' ' 36' ' ' VAL . 24.6 mt . . . . . 0 CA--C 1.522 -0.113 0 N-CA-C 109.964 -0.384 . . . . 0.82 109.964 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -56.82 -43.22 80.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 2.71 110.702 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.78 -44.81 88.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.918 -0.583 . . . . 3.26 111.053 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 t -69.75 -38.07 76.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.432 . . . . 1.13 111.059 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -80.78 -30.6 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.856 0.36 . . . . 1.09 111.611 -177.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.847 -0.692 . . . . 1.52 112.195 179.584 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.481 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 46.9 pttt . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 112.046 0.387 . . . . 4.54 112.046 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.481 ' H ' ' HG3' ' A' ' 5' ' ' LYS . 89.9 mt -78.46 -36.48 45.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.661 0.267 . . . . 2.06 110.489 -178.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mt -58.69 -37.53 66.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.98 -0.554 . . . . 1.37 110.712 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 6.6 tpm_? -56.48 -56.28 23.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.61 -0.723 . . . . 4.24 111.011 178.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 21.5 ptt? -69.83 -31.58 69.53 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.986 -0.376 . . . . 2.51 109.986 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.47 -51.71 66.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.774 -0.648 . . . . 0.64 111.168 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.43 -38.39 90.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.859 -0.61 . . . . 2.02 112.136 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 12.4 pt-20 -90.65 -6.51 54.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.877 0.325 . . . . 1.67 111.877 -175.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' ' 9' ' ' MET . 16.5 t70 -80.61 -25.43 38.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.018 0.437 . . . . 1.34 109.987 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.9 0.99 7.61 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.526 -0.845 . . . . 0.62 113.278 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.401 ' HZ3' ' O ' ' A' ' 34' ' ' GLY . 69.5 m95 -75.24 134.03 41.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.068 0.434 . . . . 0.71 110.159 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -110.75 145.52 37.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.261 -0.427 . . . . 4.4 110.591 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.59 104.83 5.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.207 -0.664 . . . . 0.7 109.207 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.24 -19.26 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.351 -0.386 . . . . 1.13 111.411 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -147.18 124.3 11.44 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.96 -0.385 . . . . 4.4 109.96 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -87.11 98.65 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.919 -0.582 . . . . 1.83 110.036 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.691 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 5.5 m -114.04 118.04 32.97 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.302 -0.863 . . . . 1.81 109.306 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.5 84.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.217 -0.516 . . . . 1.42 112.387 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -63.27 -49.58 73.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.913 0.387 . . . . 2.66 110.142 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.691 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -156.75 122.43 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.838 -0.619 . . . . 0.82 110.154 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -69.6 133.07 47.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.257 -0.429 . . . . 2.28 110.607 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.422 ' HB3' HD11 ' A' ' 35' ' ' LEU . 61.0 m80 -106.57 106.98 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 3.2 110.947 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.405 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . 57.8 m-85 -101.6 149.68 23.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.577 -0.738 . . . . 1.46 110.833 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -151.57 141.29 21.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.781 -0.645 . . . . 1.8 109.898 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.46 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 29.1 t-80 -90.53 128.77 47.48 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.958 -0.756 . . . . 1.52 108.958 176.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 62.0 Cg_endo -67.98 61.42 0.96 Allowed 'Trans proline' 0 N--CA 1.478 0.599 0 C-N-CA 123.419 2.746 . . . . 1.67 113.296 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -175.36 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.495 -0.557 . . . . 2.71 109.495 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -108.31 133.71 20.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.71 -0.677 . . . . 2.81 110.654 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.22 51.51 2.88 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 123.198 2.598 . . . . 1.95 112.562 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' O ' ' HZ3' ' A' ' 15' ' ' TRP . . . -103.9 129.33 9.82 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.978 -0.849 . . . . 0.91 110.978 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 26' ' ' HIS . 26.2 tp -111.59 111.87 23.18 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.853 0.359 . . . . 1.57 110.67 -177.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.643 HG13 HG23 ' A' ' 53' ' ' ILE . 24.0 t -91.83 127.44 44.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.974 -0.557 . . . . 0.49 110.04 177.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.407 HG22 ' HB1' ' A' ' 24' ' ' ALA . 6.9 m -112.62 101.34 9.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.167 -0.47 . . . . 0.89 110.438 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t -99.74 122.55 50.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.326 -0.397 . . . . 1.36 111.911 -173.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.57 149.87 44.68 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.749 2.299 . . . . 1.84 111.819 175.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.274 -0.421 . . . . 4.65 111.208 -176.78 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.643 HG23 HG13 ' A' ' 36' ' ' VAL . 28.1 mt . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 109.045 -0.724 . . . . 0.82 109.045 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -60.08 -31.74 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.509 -0.769 . . . . 2.71 110.476 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -66.0 -59.46 3.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 3.26 111.113 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 m -76.61 -48.92 17.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.23 0.455 . . . . 1.13 112.23 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.515 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -82.37 -24.42 34.49 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.764 0.283 . . . . 1.09 111.764 -174.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.566 -0.826 . . . . 1.52 112.804 -176.761 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 120.741 0.305 . . . . 4.54 111.382 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.3 -18.61 64.76 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.324 0.49 . . . . 2.06 112.324 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.403 HG13 ' H ' ' A' ' 7' ' ' ILE . 4.9 mt -55.12 -32.32 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 1.37 111.117 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 26.1 mmm180 -64.07 -44.5 92.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.361 -0.382 . . . . 4.24 111.131 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.1 tpt -64.3 -38.6 91.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.999 0.428 . . . . 2.51 110.638 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.7 tp -64.86 -29.03 69.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.669 -0.696 . . . . 0.64 110.205 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -73.75 -45.91 49.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.415 -0.811 . . . . 2.02 109.904 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 36.3 mt-10 -70.48 -23.75 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.686 -0.688 . . . . 1.67 111.346 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.68 -26.28 61.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.397 -0.365 . . . . 1.34 110.578 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.51 22.63 5.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.421 -0.895 . . . . 0.62 113.676 174.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.641 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 52.2 m95 -90.76 131.0 36.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.12 0.46 . . . . 0.71 110.42 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -110.25 147.18 34.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.871 -0.604 . . . . 4.4 110.525 -172.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.8 tp -70.77 99.41 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.7 110.32 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' A' ' 28' ' ' LYS . 21.4 m -94.68 -24.04 4.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.825 -0.625 . . . . 1.13 111.738 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -150.5 131.95 14.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.04 0.448 . . . . 4.4 111.066 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -100.05 149.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.895 -0.593 . . . . 1.83 110.785 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.501 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 4.2 m -136.3 159.73 40.85 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.605 -0.887 . . . . 1.81 108.605 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.07 -51.88 7.15 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 114.474 0.55 . . . . 1.42 114.474 -174.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -107.1 -45.52 4.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 117.303 0.551 . . . . 2.66 111.299 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.501 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -109.45 163.53 13.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.844 0.354 . . . . 0.82 111.139 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -120.52 143.99 48.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.589 -0.278 . . . . 2.28 110.685 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.483 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 7.4 t-80 -98.89 130.98 45.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.447 0.642 . . . . 3.2 111.45 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.413 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 65.3 m-85 -110.9 140.82 45.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.909 -1.041 . . . . 1.46 110.381 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB3' HG21 ' A' ' 18' ' ' VAL . 37.6 ttmt -149.16 136.71 20.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.147 0.499 . . . . 1.8 110.503 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 17.2 t-80 -106.1 131.54 21.64 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 107.975 -1.12 . . . . 1.52 107.975 175.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 59.1 Cg_endo -67.61 36.53 0.16 Allowed 'Trans proline' 0 N--CA 1.483 0.869 0 C-N-CA 123.471 2.781 . . . . 1.67 113.995 -175.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 29' ' ' HIS . 72.8 mmtt -140.77 -38.9 0.42 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.787 -0.82 . . . . 2.71 108.787 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -111.05 111.14 56.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.251 -0.886 . . . . 2.81 110.086 176.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.79 50.07 2.65 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.97 2.447 . . . . 1.95 112.804 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.49 148.86 18.46 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.934 -0.651 . . . . 0.91 111.868 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.464 HD12 ' NE2' ' A' ' 26' ' ' HIS . 2.7 tp -101.75 98.74 8.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.021 0.439 . . . . 1.57 109.95 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.716 HG13 HG23 ' A' ' 53' ' ' ILE . 42.0 t -90.69 117.25 33.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.065 -0.516 . . . . 0.49 109.657 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 m -112.18 103.95 12.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.326 -0.397 . . . . 0.89 110.124 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.7 t -104.17 119.51 53.9 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 1.36 111.975 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.07 154.34 25.44 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 123.761 2.974 . . . . 1.84 111.318 171.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.2 m80 . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 108.593 -0.892 . . . . 4.65 108.593 -178.078 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.716 HG23 HG13 ' A' ' 36' ' ' VAL . 12.4 mt . . . . . 0 C--O 1.224 -0.246 0 N-CA-C 109.702 -0.481 . . . . 0.82 109.702 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -67.1 -23.15 65.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.954 -0.566 . . . . 2.71 111.434 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -81.21 -50.95 8.95 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.759 -0.459 . . . . 3.26 109.759 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.9 t -58.91 -43.08 91.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.03 -0.532 . . . . 1.13 110.058 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -93.33 21.62 5.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.759 -0.655 . . . . 1.09 110.839 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.684 0 C-N-CA 120.663 -0.779 . . . . 1.52 112.848 -178.721 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 5' ' ' LYS . 28.6 mmtp . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.698 0.285 . . . . 4.54 111.286 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.15 -32.95 71.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.488 -0.56 . . . . 2.06 109.488 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mt -64.15 -34.7 70.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.302 -0.863 . . . . 1.37 111.017 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -65.67 -47.62 74.88 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.339 -0.615 . . . . 4.24 109.339 178.196 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.9 tpt -57.51 -48.02 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.813 -0.631 . . . . 2.51 110.422 175.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.04 -40.89 67.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.023 -0.989 . . . . 0.64 111.064 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -72.54 -44.76 61.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.864 -0.607 . . . . 2.02 111.035 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.0 pt-20 -75.24 -17.99 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.471 -0.331 . . . . 1.67 111.692 -176.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.6 -18.23 61.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.956 0.408 . . . . 1.34 110.512 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.46 -5.41 8.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.508 -0.853 . . . . 0.62 113.348 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -72.47 146.45 46.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.991 0.424 . . . . 0.71 110.919 -177.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 3.8 mmp_? -114.78 139.11 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.127 -0.488 . . . . 4.4 110.946 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.429 HD21 HG12 ' A' ' 20' ' ' VAL . 54.6 tp -73.09 96.65 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.164 -0.68 . . . . 0.7 109.164 173.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.4 m -98.48 -20.87 5.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.961 -0.563 . . . . 1.13 112.046 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' HB3' ' A' ' 26' ' ' HIS . 31.6 tpt180 -143.35 119.6 10.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.859 0.362 . . . . 4.4 110.573 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.429 HG12 HD21 ' A' ' 17' ' ' LEU . 33.9 m -94.98 146.25 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.991 -0.55 . . . . 1.83 110.961 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.643 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 8.3 m -149.95 158.61 44.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.125 -1.065 . . . . 1.81 108.125 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.43 -66.24 2.51 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 121.356 -0.45 . . . . 1.42 114.065 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 p -87.48 -37.41 16.98 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.353 0.501 . . . . 2.66 112.353 -174.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.643 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -121.61 151.69 40.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.82 111.815 -174.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -122.13 132.7 54.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.111 -0.495 . . . . 2.28 110.07 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.547 ' NE2' HD12 ' A' ' 35' ' ' LEU . 7.2 t-80 -94.5 126.68 39.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.511 0.672 . . . . 3.2 111.122 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -110.48 141.89 42.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.757 -1.11 . . . . 1.46 110.042 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -151.32 143.1 23.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.809 -0.632 . . . . 1.8 109.33 -178.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.531 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 8.0 t-80 -102.42 129.31 26.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.228 -0.656 . . . . 1.52 109.228 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.531 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 73.0 Cg_endo -70.46 50.98 1.06 Allowed 'Trans proline' 0 N--CA 1.478 0.564 0 C-N-CA 123.471 2.781 . . . . 1.67 113.564 -176.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -166.58 -47.85 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.204 0.526 . . . . 2.71 109.749 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.75 132.99 20.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.638 -0.71 . . . . 2.81 109.74 177.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -74.0 155.08 47.98 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.481 2.12 . . . . 1.95 111.856 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.22 129.33 1.3 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.773 -0.727 . . . . 0.91 111.911 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.547 HD12 ' NE2' ' A' ' 26' ' ' HIS . 3.8 tp -99.54 98.5 9.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.877 0.37 . . . . 1.57 110.142 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.844 HG13 HG23 ' A' ' 53' ' ' ILE . 38.6 t -91.38 99.66 10.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.285 -0.635 . . . . 0.49 109.285 173.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.547 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 21.2 m -105.37 99.92 9.51 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.923 -0.58 . . . . 0.89 109.887 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.414 HG22 HD13 ' A' ' 53' ' ' ILE . 22.4 t -95.28 106.72 27.88 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 116.11 -0.495 . . . . 1.36 111.312 -175.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.547 ' HD3' ' O ' ' A' ' 37' ' ' THR . 1.4 Cg_endo -84.16 134.23 5.91 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.957 2.438 . . . . 1.84 111.771 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.2 m80 . . . . . 0 C--N 1.319 -0.751 0 CA-C-N 116.063 -0.517 . . . . 4.65 110.336 178.789 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.844 HG23 HG13 ' A' ' 36' ' ' VAL . 42.8 mt . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 121.003 0.43 . . . . 0.82 110.315 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -61.72 -24.01 66.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.559 -0.746 . . . . 2.71 111.301 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -86.73 -52.8 5.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.549 -0.751 . . . . 3.26 111.05 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.9 m -62.1 -39.84 93.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 1.13 110.709 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.34 20.99 12.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.949 -0.569 . . . . 1.09 110.562 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.743 0 C-N-CA 121.052 -0.594 . . . . 1.52 111.894 179.373 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 33.9 mmtp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.973 -0.38 . . . . 4.54 109.973 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.09 -23.04 41.56 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.71 -0.478 . . . . 2.06 109.71 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.34 -23.91 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.607 -0.724 . . . . 1.37 109.414 173.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 20.3 tpt180 -69.61 -45.72 67.92 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.645 -0.707 . . . . 4.24 110.029 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.411 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.0 ttp -60.31 -42.42 95.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.16 0.505 . . . . 2.51 109.881 176.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 tp -54.15 -42.63 69.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.148 -0.933 . . . . 0.64 110.883 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -72.56 -48.27 41.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.223 -0.444 . . . . 2.02 110.899 -175.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 9' ' ' MET . 12.9 pt-20 -72.98 -6.02 42.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.401 . . . . 1.67 111.481 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -73.84 -15.27 61.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.518 0.675 . . . . 1.34 109.754 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.27 23.89 2.82 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.745 -0.741 . . . . 0.62 112.484 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 82.5 m95 -102.05 165.67 11.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.915 0.388 . . . . 0.71 111.312 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -136.86 137.63 39.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.958 -0.564 . . . . 4.4 110.089 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.1 tp -76.23 106.53 7.9 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.519 -0.548 . . . . 0.7 109.519 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 m -94.5 -37.27 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 111.821 0.304 . . . . 1.13 111.821 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -143.73 151.46 40.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 4.4 110.662 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.7 t -131.64 124.56 54.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.129 -0.487 . . . . 1.83 110.522 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.421 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 32.0 p -119.89 99.42 6.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.859 0.361 . . . . 1.81 110.243 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.36 -101.04 0.71 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.588 -0.815 . . . . 1.42 111.498 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -120.41 11.45 11.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.366 0.603 . . . . 2.66 109.66 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HB3' ' OG1' ' A' ' 21' ' ' THR . . . -90.52 113.23 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.829 -0.623 . . . . 0.82 111.01 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 37' ' ' THR . 7.9 m-70 -84.25 114.81 22.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.644 -0.707 . . . . 2.28 109.464 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -99.44 109.48 22.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.743 0.306 . . . . 3.2 110.215 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 49.9 m-85 -100.82 138.32 38.03 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.108 -0.496 . . . . 1.46 111.244 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HD2' HD11 ' A' ' 35' ' ' LEU . 82.5 tttt -157.02 117.82 3.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.781 -0.645 . . . . 1.8 110.947 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.417 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 14.4 t-80 -113.02 129.23 24.71 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 115.697 -0.683 . . . . 1.52 109.522 173.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 56.9 Cg_endo -67.12 68.28 0.6 Allowed 'Trans proline' 0 N--CA 1.479 0.659 0 C-N-CA 123.352 2.701 . . . . 1.67 112.337 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.0 tttp 177.41 -25.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.691 -1.14 . . . . 2.71 108.123 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 29.9 mmtp -98.25 174.18 3.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 114.758 -1.11 . . . . 2.81 110.233 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 32' ' ' LYS . 50.7 Cg_exo -59.41 -147.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.288 2.659 . . . . 1.95 114.176 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.72 -155.49 3.67 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.874 -0.603 . . . . 0.91 113.496 -176.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.441 HD11 ' HD2' ' A' ' 28' ' ' LYS . 11.2 mp -87.68 125.87 34.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.981 0.42 . . . . 1.57 111.306 -176.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.515 HG21 ' HB2' ' A' ' 57' ' ' ALA . 38.4 t -90.84 110.52 22.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.262 -0.644 . . . . 0.49 109.262 172.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 28.9 m -106.16 108.45 19.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.215 -0.448 . . . . 0.89 110.626 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.1 t -113.14 97.59 43.11 Favored Pre-proline 0 C--N 1.324 -0.52 0 C-N-CA 121.032 -0.267 . . . . 1.36 110.735 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 15.3 Cg_endo -97.9 96.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.172 2.581 . . . . 1.84 111.375 170.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 116.407 -0.36 . . . . 4.65 110.992 -178.687 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.46 HG23 HG13 ' A' ' 36' ' ' VAL . 20.1 mt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.633 -0.506 . . . . 0.82 109.633 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.581 ' HA ' HE21 ' A' ' 54' ' ' GLN . 0.0 OUTLIER -62.13 -14.04 33.06 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.715 -0.675 . . . . 2.71 111.796 -177.641 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -57.46 -53.11 61.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.496 -0.557 . . . . 3.26 109.496 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.6 m -91.55 -38.91 12.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 1.13 110.883 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.515 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -90.76 15.29 11.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.871 -0.604 . . . . 1.09 111.871 -174.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.876 0 C-N-CA 120.481 -0.866 . . . . 1.52 111.68 179.593 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 121.132 0.491 . . . . 4.54 111.347 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.21 -43.05 92.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.328 -0.851 . . . . 2.06 111.151 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.506 HG12 HG11 ' A' ' 38' ' ' VAL . 77.3 mt -69.98 -41.27 79.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.029 -0.532 . . . . 1.37 110.735 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 58.6 mtp180 -65.45 -43.43 90.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.444 -0.344 . . . . 4.24 110.769 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 37.2 ttm -56.57 -46.87 80.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 2.51 110.469 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.95 -37.2 83.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.842 -1.072 . . . . 0.64 110.688 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.13 -58.66 7.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.346 -0.843 . . . . 2.02 111.036 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.1 pt-20 -70.32 -11.69 61.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 1.67 111.95 -173.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -75.73 -24.88 56.19 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.81 -0.441 . . . . 1.34 109.81 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.6 5.98 10.77 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.742 . . . . 0.62 113.643 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -79.27 141.33 37.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.202 0.501 . . . . 0.71 111.332 -177.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -113.19 151.0 31.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.783 -0.644 . . . . 4.4 110.091 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.72 108.76 4.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.332 -0.618 . . . . 0.7 109.332 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -93.98 -28.78 4.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.029 -0.532 . . . . 1.13 110.997 -170.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.517 ' HB3' ' HB2' ' A' ' 26' ' ' HIS . 30.8 ttm180 -138.7 118.64 13.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.758 -0.46 . . . . 4.4 109.758 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -87.2 123.99 40.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.762 -0.653 . . . . 1.83 110.323 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.617 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 26.1 m -149.99 128.27 12.09 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.649 -0.705 . . . . 1.81 109.325 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.14 -20.09 72.68 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.108 -0.568 . . . . 1.42 112.719 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.489 ' H ' HG22 ' A' ' 21' ' ' THR . 16.3 m -82.32 -33.65 28.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.731 0.301 . . . . 2.66 111.125 178.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.617 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -162.08 133.7 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.364 -0.38 . . . . 0.82 110.124 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -91.94 118.23 30.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.863 0.363 . . . . 2.28 110.03 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 90.0 m-70 -101.24 115.03 29.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 3.2 111.146 -174.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -101.1 147.54 26.11 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.663 -0.699 . . . . 1.46 110.485 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HB3' HG21 ' A' ' 18' ' ' VAL . 87.3 tttt -152.0 135.67 16.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.0 0.428 . . . . 1.8 110.925 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -109.09 100.65 41.48 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.121 -1.066 . . . . 1.52 108.121 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.59 -13.11 7.35 Favored 'Trans proline' 0 N--CA 1.481 0.739 0 C-N-CA 123.645 2.897 . . . . 1.67 114.844 -169.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -78.26 -27.76 47.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.328 0.585 . . . . 2.71 109.484 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -111.37 143.24 28.06 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.471 -0.786 . . . . 2.81 110.508 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.22 60.18 7.7 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.397 2.065 . . . . 1.95 112.117 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.88 137.15 7.52 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.437 -0.887 . . . . 0.91 112.673 -177.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 tt -122.38 129.14 51.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.501 -0.555 . . . . 1.57 109.501 175.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 57' ' ' ALA . 54.8 t -103.39 129.06 55.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.135 -0.484 . . . . 0.49 110.938 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.6 m -105.07 103.32 12.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.535 -0.302 . . . . 0.89 110.321 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.506 HG11 HG12 ' A' ' 7' ' ' ILE . 92.8 t -86.01 132.23 44.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 1.36 110.335 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 11.3 Cg_exo -71.86 148.45 51.93 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.503 2.136 . . . . 1.84 111.485 176.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.851 -0.613 . . . . 4.65 110.064 -175.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.441 HG23 ' CG1' ' A' ' 36' ' ' VAL . 14.8 mt . . . . . 0 C--O 1.224 -0.269 0 N-CA-C 109.567 -0.531 . . . . 0.82 109.567 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -58.1 -36.0 72.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 2.71 110.684 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HB3' ' NZ ' ' A' ' 55' ' ' LYS . 9.2 mtpm? -76.26 -52.19 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 3.26 111.864 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 m -74.02 -38.61 64.0 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.292 0.478 . . . . 1.13 112.292 -173.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -89.7 -27.93 19.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.913 0.387 . . . . 1.09 111.048 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 1.52 112.299 -179.472 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 121.137 0.494 . . . . 20.35 110.769 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -113.85 -169.33 1.49 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.223 -0.658 . . . . 19.57 109.223 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 9.2 t -129.21 26.88 5.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.559 0.695 . . . . 19.07 110.14 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -157.75 127.09 1.84 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.514 -0.766 . . . . 16.29 111.876 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 17.8 m 64.11 28.78 14.2 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 122.987 0.515 . . . . 14.32 111.669 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -77.26 81.62 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.264 0.554 . . . . 12.4 110.808 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' LEU . . . . . 0.544 ' O ' ' HD2' ' A' ' 39' ' ' PRO . 10.8 mp -95.44 1.22 54.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.89 -0.596 . . . . 12.09 110.297 176.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -65.7 128.79 37.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.731 -0.668 . . . . 10.27 110.61 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.547 ' OD1' ' HB ' ' A' ' 49' ' ' THR . 42.6 m-80 -142.88 150.55 39.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.222 -0.444 . . . . 7.48 110.884 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -148.99 102.12 3.23 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.868 -0.79 . . . . 3.89 108.868 176.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.416 ' H ' HD12 ' A' ' 7' ' ' ILE . 35.0 t -158.47 159.14 35.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.027 -0.533 . . . . 3.44 110.553 -173.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -66.67 -22.18 66.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.336 -0.847 . . . . 4.54 110.503 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.49 -18.6 63.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.813 -0.63 . . . . 2.06 111.351 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.416 HD12 ' H ' ' A' ' 4' ' ' SER . 88.3 mt -66.7 -31.43 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.333 0.587 . . . . 1.37 109.689 175.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 94.0 mtt180 -66.35 -35.36 80.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.72 -0.673 . . . . 4.24 110.002 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 56.1 ttp -63.72 -35.17 79.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.565 . . . . 2.51 110.362 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 58.4 tp -60.46 -34.24 73.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.545 -0.752 . . . . 0.64 110.175 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -75.08 -40.91 59.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.79 -0.641 . . . . 2.02 110.29 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 43.7 mt-10 -73.95 -21.72 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.709 -0.678 . . . . 1.67 111.726 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -72.25 -18.24 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.198 0.523 . . . . 1.34 110.529 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.1 9.81 17.25 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.427 -0.892 . . . . 0.62 112.626 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 58.6 m95 -73.96 133.35 43.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.593 -0.521 . . . . 0.71 109.593 176.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -117.09 140.62 49.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.014 0.435 . . . . 4.4 110.979 -175.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.3 tp -73.16 99.7 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.342 -0.844 . . . . 0.7 110.037 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.02 -16.32 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.856 0.36 . . . . 1.13 111.274 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HB3' ' HB2' ' A' ' 26' ' ' HIS . 27.2 tpt180 -141.4 114.76 8.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.968 0.414 . . . . 4.4 110.044 177.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.71 134.93 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.623 -0.717 . . . . 1.83 110.459 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.634 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 95.1 m -143.49 154.19 43.38 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.21 -0.663 . . . . 1.81 109.21 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.2 -56.56 5.3 Favored Glycine 0 C--N 1.334 0.432 0 O-C-N 123.6 0.562 . . . . 1.42 113.668 -175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.595 ' O ' ' HA ' ' A' ' 39' ' ' PRO . 19.8 m -112.21 -34.23 5.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.967 0.383 . . . . 2.66 111.509 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.634 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -88.96 115.46 26.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.303 0.573 . . . . 0.82 112.319 -172.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 37' ' ' THR . 76.7 m80 -91.27 115.12 27.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.532 -0.758 . . . . 2.28 109.644 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 72.8 m80 -94.56 106.01 17.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.936 0.398 . . . . 3.2 110.075 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.573 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 77.9 m-85 -101.15 141.86 33.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.734 -0.667 . . . . 1.46 111.983 -175.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 23.1 tptm -131.42 137.02 48.47 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.526 -0.761 . . . . 1.8 109.348 174.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -105.63 119.17 53.48 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.682 -0.488 . . . . 1.52 109.682 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.11 68.25 1.9 Allowed 'Trans proline' 0 N--CA 1.478 0.57 0 C-N-CA 123.543 2.829 . . . . 1.67 113.029 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -177.67 -42.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.169 -0.678 . . . . 2.71 109.169 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HE2' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -112.24 139.55 22.62 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.595 -0.73 . . . . 2.81 110.979 178.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.78 61.0 6.16 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.827 2.351 . . . . 1.95 112.21 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' O ' ' HD2' ' A' ' 28' ' ' LYS . . . -129.24 139.84 11.27 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.853 -0.689 . . . . 0.91 111.931 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 27' ' ' PHE . 18.8 tp -119.28 118.03 30.16 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.752 -0.462 . . . . 1.57 109.752 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.438 HG21 ' HB2' ' A' ' 57' ' ' ALA . 25.5 t -105.46 124.28 60.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.865 0.364 . . . . 0.49 110.363 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.489 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 39.3 m -113.92 103.0 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.4 -0.364 . . . . 0.89 110.749 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 53' ' ' ILE . 37.4 t -103.83 102.74 32.99 Favored Pre-proline 0 C--O 1.236 0.345 0 N-CA-C 111.938 0.347 . . . . 1.36 111.938 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.595 ' HA ' ' O ' ' A' ' 23' ' ' SER . 8.7 Cg_exo -73.6 111.53 3.31 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.855 2.37 . . . . 1.84 110.634 167.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -110.67 103.25 54.11 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.857 -0.611 . . . . 4.65 111.673 -173.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -94.93 175.27 1.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.296 2.664 . . . . 3.83 111.081 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -93.06 99.74 12.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.368 -0.605 . . . . 6.59 109.368 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -172.93 144.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.35 -0.611 . . . . 6.2 109.35 -175.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.95 99.08 3.73 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.386 -0.598 . . . . 7.11 109.386 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -110.51 131.71 21.92 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.276 -0.42 . . . . 5.49 110.761 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -62.31 160.01 32.93 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.977 2.452 . . . . 5.22 111.992 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.1 pt -85.42 10.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.154 -0.476 . . . . 4.55 111.871 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' O ' ' HE2' ' A' ' 51' ' ' LYS . . . -53.24 -43.77 64.29 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.443 -0.408 . . . . 3.31 113.312 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.547 ' HB ' ' OD1' ' A' ' 2' ' ' ASN . 9.8 m -82.15 -29.33 31.64 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.327 -0.514 . . . . 2.79 110.282 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.457 HG23 ' OD1' ' A' ' 2' ' ' ASN . 13.0 t -64.6 -41.16 91.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.879 -0.6 . . . . 1.76 112.319 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.467 ' HA ' HE21 ' A' ' 54' ' ' GLN . 0.0 OUTLIER -68.38 -19.59 64.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.018 0.437 . . . . 4.23 110.616 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.2 m -77.49 -38.78 48.37 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.403 -0.592 . . . . 2.25 109.403 171.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 49' ' ' THR . 28.6 mt -60.96 -43.35 95.77 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.103 0 CA-C-N 115.968 -0.56 . . . . 0.82 110.051 174.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.467 HE21 ' HA ' ' A' ' 51' ' ' LYS . 49.7 mt-30 -60.13 -22.49 62.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 2.71 111.846 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.87 -39.07 83.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.978 0.418 . . . . 3.26 109.897 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.535 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 15.5 m -86.7 -34.23 19.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.089 -0.505 . . . . 1.13 110.777 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.579 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -82.48 -30.04 30.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 1.09 112.058 -175.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.63 -28.76 8.18 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.626 -0.797 . . . . 1.52 113.115 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.2 mt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.813 -0.613 . . . . 5.08 110.626 -177.256 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' A' ' -2' ' ' SER . 19.6 t70 . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.476 0.179 . . . . 20.35 111.155 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -69.8 -55.89 8.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.801 -0.181 . . . . 19.57 111.101 -176.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 23.7 m -68.04 -47.76 67.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.094 0.473 . . . . 19.07 110.081 177.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -137.97 120.36 2.01 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.159 -0.776 . . . . 16.29 111.159 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' -6' ' ' ASP . 28.5 t -78.45 -31.87 48.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.014 0.435 . . . . 14.32 110.205 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . 0.609 ' HG3' ' H ' ' A' ' 1' ' ' MET . 8.9 tp10 -137.78 139.68 40.17 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.991 -0.55 . . . . 12.4 109.719 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 88.0 mt -90.43 -7.51 52.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.171 -0.468 . . . . 12.09 110.408 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.609 ' H ' ' HG3' ' A' ' -1' ' ' GLU . 65.1 mtt -76.73 93.76 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 10.27 110.156 177.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -66.08 134.39 52.73 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.358 -0.608 . . . . 7.48 109.358 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -77.71 63.78 2.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.193 0.521 . . . . 3.89 111.623 -174.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 p -81.31 -12.82 58.94 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.979 -0.555 . . . . 3.44 110.16 176.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -46.69 -44.91 19.06 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.636 -0.711 . . . . 4.54 111.742 174.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.7 mt -66.8 -39.59 87.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.548 -0.751 . . . . 2.06 110.806 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.4 mt -69.06 -38.01 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 1.37 109.757 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 79.0 ttt180 -59.08 -55.43 35.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 4.24 111.243 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.7 ptm -66.28 -25.74 67.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.194 0.521 . . . . 2.51 110.94 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.426 HD22 HG11 ' A' ' 36' ' ' VAL . 50.4 tp -75.55 -42.38 52.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.454 -0.794 . . . . 0.64 110.322 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.59 -37.8 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.67 -0.695 . . . . 2.02 110.728 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 48.8 mt-10 -72.42 -16.59 61.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 1.67 111.905 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -81.05 -13.65 58.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 1.34 110.382 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.25 24.21 8.57 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.508 -0.854 . . . . 0.62 113.551 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -83.26 172.63 12.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.954 0.377 . . . . 0.71 110.676 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -135.63 137.09 41.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.454 -0.339 . . . . 4.4 110.584 -177.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 25' ' ' HIS . 54.1 tp -74.31 109.05 7.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.174 -0.466 . . . . 0.7 109.908 176.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 m -99.6 -24.96 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 112.454 0.539 . . . . 1.13 112.454 -174.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -161.73 124.22 2.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 4.4 111.334 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.405 ' CG2' HD21 ' A' ' 17' ' ' LEU . 39.4 t -99.91 104.58 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.276 -0.42 . . . . 1.83 110.007 175.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -100.11 97.62 8.43 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.801 -0.444 . . . . 1.81 109.801 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.29 -112.92 5.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.707 -0.758 . . . . 1.42 112.012 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -99.46 -9.01 23.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.164 0.507 . . . . 2.66 109.922 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.62 99.07 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.319 0.58 . . . . 0.82 110.884 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.558 ' NE2' ' HB ' ' A' ' 38' ' ' VAL . 9.6 p-80 -88.94 131.6 35.07 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.891 -0.595 . . . . 2.28 110.102 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' HB3' HD11 ' A' ' 35' ' ' LEU . 78.7 m80 -101.11 123.4 45.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.606 -0.725 . . . . 3.2 111.33 -174.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -101.12 135.04 43.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.692 -0.686 . . . . 1.46 110.355 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -153.69 149.37 27.45 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.911 -0.586 . . . . 1.8 109.711 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.485 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 13.7 t-80 -110.49 137.94 20.83 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.712 -0.848 . . . . 1.52 108.712 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.485 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 54.4 Cg_endo -68.83 56.31 1.0 Allowed 'Trans proline' 0 N--CA 1.476 0.477 0 C-N-CA 123.023 2.482 . . . . 1.67 112.927 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 tptp 179.97 -26.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.451 -0.795 . . . . 2.71 109.279 -177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -110.08 128.51 25.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.66 -0.7 . . . . 2.81 110.453 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -82.2 17.78 1.52 Allowed 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.829 2.353 . . . . 1.95 112.434 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.02 97.65 2.08 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.974 -0.631 . . . . 0.91 111.873 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 26' ' ' HIS . 32.5 tp -89.9 106.12 18.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.997 0.427 . . . . 1.57 110.107 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.716 HG13 HG23 ' A' ' 53' ' ' ILE . 53.4 t -91.65 117.35 34.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.997 -0.547 . . . . 0.49 110.917 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.9 m -101.65 107.56 18.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.821 -0.627 . . . . 0.89 110.29 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 16.6 t -109.69 99.66 38.95 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.653 0.263 . . . . 1.36 110.522 177.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.646 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 88.2 Cg_endo -91.43 151.27 3.61 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 123.47 2.78 . . . . 1.84 112.232 176.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -104.06 89.88 2.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.639 -0.255 . . . . 4.65 110.903 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.646 ' HD3' ' O ' ' A' ' 39' ' ' PRO . 57.4 Cg_endo -95.66 130.56 0.45 Allowed 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 123.046 2.497 . . . . 3.83 111.821 177.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -78.43 94.94 4.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.832 0.825 . . . . 6.59 109.705 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HG2' ' H ' ' A' ' 44' ' ' ASP . 37.6 ttmt 177.72 178.89 0.31 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.434 -1.257 . . . . 6.2 107.728 -175.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.509 ' H ' ' HG2' ' A' ' 43' ' ' LYS . 32.3 t70 -68.44 116.01 8.51 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.369 -0.974 . . . . 7.11 108.369 165.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mp -62.57 122.58 74.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 120.714 0.293 . . . . 5.49 110.98 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.32 124.02 11.21 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.741 2.294 . . . . 5.22 111.955 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.6 tp -65.11 -24.52 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.92 -0.582 . . . . 4.55 110.408 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.32 -40.21 93.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.158 -0.544 . . . . 3.31 112.237 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.5 m -70.87 -33.7 70.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.139 0.495 . . . . 2.79 110.503 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.48 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 90.8 t -70.74 -33.14 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.122 -0.49 . . . . 1.76 110.471 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -61.67 -30.23 70.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.212 0.53 . . . . 4.23 110.204 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m -74.65 -33.56 62.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.817 -0.629 . . . . 2.25 109.981 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.716 HG23 HG13 ' A' ' 36' ' ' VAL . 42.0 mt -66.2 -51.95 53.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.265 -0.425 . . . . 0.82 110.347 176.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 50' ' ' VAL . 25.1 mt-30 -52.24 -56.57 13.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 2.71 111.533 -175.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -62.0 -25.6 67.74 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.705 0.261 . . . . 3.26 111.705 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.4 m -86.56 -33.9 20.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.712 0.291 . . . . 1.13 111.09 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.479 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -83.25 0.33 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.109 0.481 . . . . 1.09 111.076 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.77 10.27 65.19 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.955 -0.641 . . . . 1.52 112.417 176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.6 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.437 -0.792 . . . . 5.08 109.778 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 110.567 -0.16 . . . . 20.35 110.567 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 53.02 66.09 1.33 Allowed 'General case' 0 C--O 1.232 0.164 0 O-C-N 123.848 0.718 . . . . 19.57 110.913 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 12.0 m -146.68 64.34 1.19 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.623 -0.717 . . . . 19.07 109.38 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -129.46 27.49 4.18 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.648 -0.705 . . . . 16.29 112.169 -178.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.5 m -79.82 -21.28 44.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.976 0.417 . . . . 14.32 110.512 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -106.97 132.26 53.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.074 0.464 . . . . 12.4 110.583 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' LEU . . . . . 0.499 ' O ' ' HG2' ' A' ' 41' ' ' PRO . 1.3 pt? -135.81 55.77 1.85 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.566 -0.743 . . . . 12.09 109.404 177.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt 52.25 70.26 0.58 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.466 -0.788 . . . . 10.27 110.144 -174.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -81.1 59.0 3.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.668 -0.696 . . . . 7.48 111.182 -173.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -98.59 -60.31 1.57 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.037 -0.529 . . . . 3.89 109.968 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.575 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 41.3 m 60.34 48.93 7.44 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.943 0.401 . . . . 3.44 110.941 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.26 -47.52 85.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.561 . . . . 4.54 111.34 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.84 -26.61 67.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.421 . . . . 2.06 110.758 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt -80.03 -25.81 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.186 -0.461 . . . . 1.37 110.482 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' ' 4' ' ' SER . 99.4 mtt180 -63.98 -48.61 75.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.394 . . . . 4.24 110.693 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -68.25 -23.29 64.77 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.468 0.651 . . . . 2.51 110.342 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.3 tp -79.01 -51.9 8.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.125 -0.943 . . . . 0.64 110.973 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.09 -39.39 85.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.524 -0.762 . . . . 2.02 111.873 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.74 -16.43 64.13 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.734 0.642 . . . . 1.67 112.734 -173.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -75.95 -26.01 56.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.072 0.463 . . . . 1.34 110.206 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.51 3.6 7.17 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.573 -0.822 . . . . 0.62 112.533 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.531 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 93.7 m95 -70.86 134.17 47.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.95 0.405 . . . . 0.71 110.387 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -117.97 149.41 40.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.032 -0.531 . . . . 4.4 109.884 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.423 ' CD2' HG22 ' A' ' 20' ' ' VAL . 54.6 tp -75.51 109.79 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.085 -0.507 . . . . 0.7 110.226 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 m -94.38 -38.39 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.459 -0.337 . . . . 1.13 111.428 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.489 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 5.1 mmp_? -120.68 113.35 20.08 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.753 0.311 . . . . 4.4 110.352 178.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' A' ' 17' ' ' LEU . 27.8 t -88.25 103.19 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.97 -0.559 . . . . 1.83 110.287 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 22.9 m -117.81 132.77 56.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.842 -0.617 . . . . 1.81 109.817 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.17 55.04 3.57 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.339 -0.458 . . . . 1.42 113.302 -177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 p -167.92 -55.05 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.144 -0.687 . . . . 2.66 109.144 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' A' ' 39' ' ' PRO . . . -132.85 128.11 35.93 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.984 -1.007 . . . . 0.82 110.032 176.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.422 ' HB2' HG23 ' A' ' 38' ' ' VAL . 37.0 m170 -87.06 131.93 33.97 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.085 -0.507 . . . . 2.28 110.001 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.489 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . 73.9 m80 -105.84 114.39 28.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 3.2 109.974 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.444 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.5 m-85 -102.68 142.79 33.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.646 -0.706 . . . . 1.46 111.381 -177.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -157.11 134.95 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.519 -0.764 . . . . 1.8 110.083 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.486 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 16.2 t-80 -111.06 129.46 23.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.213 -0.662 . . . . 1.52 109.213 174.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.486 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 98.1 Cg_endo -71.37 51.9 1.48 Allowed 'Trans proline' 0 N--CA 1.481 0.764 0 C-N-CA 123.675 2.917 . . . . 1.67 113.73 -175.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -161.22 -41.0 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.361 -0.381 . . . . 2.71 110.126 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -107.99 127.52 27.48 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.378 -0.374 . . . . 2.81 110.378 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.78 138.47 37.81 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.734 2.289 . . . . 1.95 112.575 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.26 141.71 3.8 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.821 -0.705 . . . . 0.91 111.906 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.2 tp -119.16 114.4 22.39 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.7 -0.482 . . . . 1.57 109.7 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.837 HG13 HG23 ' A' ' 53' ' ' ILE . 42.0 t -95.2 122.18 46.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.053 -0.521 . . . . 0.49 110.718 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.4 m -111.01 100.03 8.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.944 -0.571 . . . . 0.89 110.36 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.422 HG23 ' HB2' ' A' ' 25' ' ' HIS . 2.7 m -103.88 109.3 62.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 121.132 0.492 . . . . 1.36 110.898 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 83.6 Cg_endo -85.15 148.81 10.51 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.952 2.435 . . . . 1.84 112.682 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -87.89 156.25 52.51 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.792 -0.64 . . . . 4.65 109.921 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.499 ' HG2' ' O ' ' A' ' 0' ' ' LEU . 28.3 Cg_exo -28.95 110.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 124.78 3.653 . . . . 3.83 114.656 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -154.46 -163.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.089 -0.96 . . . . 6.59 109.256 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -72.25 119.99 17.23 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.019 -0.734 . . . . 6.2 109.019 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.28 118.98 7.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.655 -0.702 . . . . 7.11 112.46 -170.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mp -77.13 167.04 39.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.755 -0.657 . . . . 5.49 109.432 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.52 139.08 57.17 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.576 2.184 . . . . 5.22 111.707 174.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm -63.21 -17.88 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.967 -0.561 . . . . 4.55 110.615 -176.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -53.63 -38.06 57.94 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.758 -0.655 . . . . 3.31 112.407 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 53.3 p -68.21 -32.26 72.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.262 0.553 . . . . 2.79 110.833 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.8 t -74.54 -43.63 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.625 -0.716 . . . . 1.76 111.646 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -19.31 63.29 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.435 -0.506 . . . . 4.23 110.091 177.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.1 m -68.33 -34.17 75.63 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.638 -0.505 . . . . 2.25 109.638 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.837 HG23 HG13 ' A' ' 36' ' ' VAL . 44.2 mt -60.41 -51.55 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.399 -0.593 . . . . 0.82 109.399 175.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.17 -36.43 79.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.58 -0.736 . . . . 2.71 111.103 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -72.71 -30.45 64.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.367 -0.378 . . . . 3.26 111.235 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -86.24 -41.4 14.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.974 0.416 . . . . 1.13 110.949 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.531 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -82.29 -31.4 30.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.993 -0.549 . . . . 1.09 112.243 -174.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -131.31 7.65 5.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.268 -0.967 . . . . 1.52 113.04 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.485 ' HA ' ' O ' ' A' ' 55' ' ' LYS . 6.6 mp . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.582 -0.723 . . . . 5.08 111.434 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.467 0.175 . . . . 20.35 111.379 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -61.06 -55.11 36.53 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.602 -0.272 . . . . 19.57 110.533 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 44.9 m -71.46 92.44 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.4 0.619 . . . . 19.07 109.879 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 145.15 -32.49 1.66 Allowed Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.929 -0.868 . . . . 16.29 110.929 -175.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.6 t -92.33 41.54 1.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.629 0.728 . . . . 14.32 109.535 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -144.27 90.26 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.49 -0.777 . . . . 12.4 109.529 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.17 174.78 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.546 -0.752 . . . . 12.09 110.502 -176.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -87.29 49.93 1.91 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.096 -0.502 . . . . 10.27 110.479 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -158.6 89.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.89 -0.595 . . . . 7.48 109.961 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -72.78 83.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.35 0.595 . . . . 3.89 109.804 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.6 t -152.52 49.5 0.75 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.507 -0.769 . . . . 3.44 109.515 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -65.0 -30.4 71.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.447 -0.797 . . . . 4.54 110.78 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.57 -49.69 75.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 2.06 110.701 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.3 mm -70.34 -36.66 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 1.37 110.055 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.546 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 32.8 tpt180 -61.93 -49.71 75.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.072 -0.513 . . . . 4.24 110.744 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 tpt -57.42 -44.92 85.04 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.344 0.593 . . . . 2.51 110.549 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.79 -35.05 78.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.969 -1.014 . . . . 0.64 110.379 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -71.76 -41.88 67.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.237 -0.892 . . . . 2.02 110.9 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 41.8 mt-10 -67.39 -33.89 76.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.912 -0.585 . . . . 1.67 112.164 -175.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.73 -22.37 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 1.34 110.582 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.48 25.35 2.93 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.3 -0.952 . . . . 0.62 113.343 175.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.455 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 68.0 m95 -100.08 139.41 35.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.959 0.379 . . . . 0.71 110.661 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -127.37 157.93 38.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.172 -0.467 . . . . 4.4 109.995 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 25' ' ' HIS . 57.8 tp -70.98 125.34 26.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.692 -0.685 . . . . 0.7 111.046 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.4 m -113.76 -36.57 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.768 0.285 . . . . 1.13 111.768 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -143.17 141.95 31.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 4.4 110.89 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.406 ' CG2' HD21 ' A' ' 17' ' ' LEU . 41.1 t -121.32 125.75 74.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.403 -0.362 . . . . 1.83 110.601 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.1 p -125.14 100.88 6.75 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.753 -0.462 . . . . 1.81 109.753 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.24 -112.99 5.44 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.137 -0.554 . . . . 1.42 112.012 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 m -106.09 -0.12 25.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.038 0.447 . . . . 2.66 110.375 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.53 120.25 36.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.995 -0.548 . . . . 0.82 110.377 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' HB3' HD13 ' A' ' 17' ' ' LEU . 12.1 m170 -100.05 127.37 46.28 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.899 -0.591 . . . . 2.28 110.244 -177.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.521 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 71.5 m-70 -99.42 121.74 41.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.101 0.477 . . . . 3.2 110.107 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 25.0 m-85 -108.25 144.22 36.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.394 -0.821 . . . . 1.46 110.055 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -157.66 125.09 5.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.55 0.691 . . . . 1.8 111.62 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -112.41 112.05 51.99 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 114.761 -1.108 . . . . 1.52 108.649 176.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.16 -11.58 13.34 Favored 'Trans proline' 0 N--CA 1.478 0.597 0 C-N-CA 123.282 2.655 . . . . 1.67 114.609 -171.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -85.79 -30.71 22.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 2.71 110.214 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HB3' HD12 ' A' ' 59' ' ' LEU . 14.7 mmmm -110.6 120.02 44.95 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 2.81 110.114 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.24 84.69 0.45 Allowed 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.702 2.268 . . . . 1.95 112.891 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.44 147.26 13.53 Favored Glycine 0 N--CA 1.439 -1.129 0 C-N-CA 120.247 -0.978 . . . . 0.91 112.43 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.0 tp -122.54 114.66 20.97 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.356 -0.609 . . . . 1.57 109.356 172.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.765 HG13 HG23 ' A' ' 53' ' ' ILE . 40.9 t -100.97 135.71 35.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.114 -0.494 . . . . 0.49 110.945 -177.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.8 m -124.12 99.08 6.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.251 -0.431 . . . . 0.89 109.867 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG12 HD13 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -99.67 112.93 64.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.526 . . . . 1.36 111.549 -179.368 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -88.35 149.84 6.56 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.15 2.567 . . . . 1.84 111.715 174.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -82.27 141.5 46.24 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.336 -0.393 . . . . 4.65 110.321 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -41.8 105.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 124.325 3.35 . . . . 3.83 114.53 -174.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -133.84 -162.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.142 -0.936 . . . . 6.59 109.491 176.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.612 ' HG3' ' H ' ' A' ' 44' ' ' ASP . 2.0 tppp? -72.64 -175.72 1.75 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.716 -0.476 . . . . 6.2 109.716 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.612 ' H ' ' HG3' ' A' ' 43' ' ' LYS . 4.5 m-20 -55.45 109.92 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.982 0.734 . . . . 7.11 112.982 -177.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mp -109.14 162.78 18.83 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 108.073 -1.084 . . . . 5.49 108.073 165.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.73 109.72 0.33 Allowed 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.346 2.031 . . . . 5.22 112.192 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.8 pt -67.49 -14.16 17.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 115.968 -0.56 . . . . 4.55 111.507 -176.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.28 -28.08 61.24 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.532 -0.627 . . . . 3.31 111.532 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.558 ' O ' HG13 ' A' ' 53' ' ' ILE . 6.3 m -64.76 -39.13 93.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.136 0.494 . . . . 2.79 110.273 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.5 t -70.84 -44.21 76.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.666 -0.697 . . . . 1.76 111.984 -175.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -19.15 63.15 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.486 -0.486 . . . . 4.23 110.287 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.1 m -77.23 -27.53 53.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 2.25 110.351 172.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.765 HG23 HG13 ' A' ' 36' ' ' VAL . 57.1 mt -63.87 -57.56 11.13 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 N-CA-C 109.982 -0.377 . . . . 0.82 109.982 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -59.42 -36.48 75.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 2.71 111.132 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -59.79 -48.13 82.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.969 -0.559 . . . . 3.26 110.623 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.616 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 12.2 m -79.74 -46.53 16.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.087 -0.506 . . . . 1.13 111.656 -175.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.521 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -70.57 -28.74 65.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.906 0.384 . . . . 1.09 111.357 -177.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.19 -43.57 4.02 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.731 -0.747 . . . . 1.52 112.508 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 56' ' ' SER . 79.0 mt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.907 -0.568 . . . . 5.08 111.572 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 120.813 0.34 . . . . 20.35 110.705 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -96.32 132.95 41.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.35 -0.386 . . . . 19.57 109.986 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 5.0 m -64.3 127.58 32.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.49 -0.323 . . . . 19.07 110.795 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 93.58 -1.87 69.59 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.718 -0.754 . . . . 16.29 112.229 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 13.1 t -76.18 -20.46 57.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.365 0.602 . . . . 14.32 109.761 178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.95 82.06 5.17 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.603 -0.726 . . . . 12.4 109.657 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 88.6 mt -110.32 162.13 14.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.066 -0.515 . . . . 12.09 110.817 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm -113.67 100.51 8.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.428 -0.806 . . . . 10.27 109.565 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -75.12 150.68 38.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.09 -0.505 . . . . 7.48 110.178 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -72.55 89.37 1.28 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.146 -0.479 . . . . 3.89 109.836 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 m -107.1 24.34 12.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.995 -0.548 . . . . 3.44 111.095 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.4 tmtt? -65.78 -41.27 92.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 4.54 110.785 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.51 -37.73 68.28 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.972 -0.381 . . . . 2.06 109.972 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.45 -36.56 75.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 1.37 109.79 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 55.6 ttp180 -59.62 -48.59 81.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.522 -0.763 . . . . 4.24 110.572 177.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.5 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 59.7 mtp -61.35 -49.17 78.03 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.285 0.564 . . . . 2.51 109.797 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.0 tp -52.27 -32.86 39.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.554 -1.203 . . . . 0.64 110.847 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -80.61 -53.35 6.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.054 -0.521 . . . . 2.02 110.849 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 10.6 pt-20 -72.84 -13.32 61.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.387 -0.37 . . . . 1.67 111.568 -176.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.23 -24.4 67.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.106 0.479 . . . . 1.34 110.068 175.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.1 -8.01 7.61 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.646 -0.788 . . . . 0.62 112.901 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.546 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 84.7 m95 -65.07 135.78 55.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.958 0.408 . . . . 0.71 109.986 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -109.28 142.92 39.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.331 -0.395 . . . . 4.4 110.553 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.502 HD11 ' HB ' ' A' ' 20' ' ' VAL . 43.3 tp -74.25 99.38 3.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.746 -0.464 . . . . 0.7 109.746 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 m -93.98 -33.39 5.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.251 -0.431 . . . . 1.13 111.045 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -141.84 137.27 31.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.405 -0.361 . . . . 4.4 110.069 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.502 ' HB ' HD11 ' A' ' 17' ' ' LEU . 1.4 p -140.12 106.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.471 0.653 . . . . 1.83 110.421 177.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 p -111.92 98.79 7.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.718 -0.674 . . . . 1.81 110.726 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.49 -126.6 19.09 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.815 -0.707 . . . . 1.42 111.975 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -82.73 -32.78 27.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.928 0.394 . . . . 2.66 110.641 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.9 117.93 23.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.155 -0.475 . . . . 0.82 110.7 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.425 ' HB2' HD11 ' A' ' 17' ' ' LEU . 10.9 p-80 -123.72 135.71 54.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.134 -0.485 . . . . 2.28 111.394 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.607 ' NE2' ' HB2' ' A' ' 28' ' ' LYS . 2.2 t-160 -97.14 125.15 41.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.531 -0.759 . . . . 3.2 111.428 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.536 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 42.4 m-85 -100.76 134.93 43.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.761 -1.109 . . . . 1.46 109.88 174.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.607 ' HB2' ' NE2' ' A' ' 26' ' ' HIS . 85.9 tttt -148.38 133.27 18.06 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.304 -0.407 . . . . 1.8 110.03 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.463 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 18.6 t-80 -109.79 127.6 26.85 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.571 -0.9 . . . . 1.52 108.571 176.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 56.8 Cg_endo -67.27 58.09 0.64 Allowed 'Trans proline' 0 N--CA 1.481 0.766 0 C-N-CA 123.505 2.803 . . . . 1.67 113.416 -176.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -176.2 -28.03 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.428 -0.805 . . . . 2.71 108.984 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -101.23 120.18 55.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 2.81 110.325 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -76.6 111.9 3.34 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.046 1.831 . . . . 1.95 111.273 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.24 145.53 4.97 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.073 -1.06 . . . . 0.91 112.668 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.573 HD12 ' NE2' ' A' ' 26' ' ' HIS . 9.1 tp -111.2 99.12 8.01 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.953 -0.388 . . . . 1.57 109.953 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.617 HG13 HG23 ' A' ' 53' ' ' ILE . 68.8 t -98.3 99.3 8.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.82 -0.437 . . . . 0.49 109.82 176.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 28.1 m -111.07 102.99 11.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.216 -0.447 . . . . 0.89 109.962 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.2 t -103.04 114.49 65.16 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.217 -0.447 . . . . 1.36 110.937 -175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -89.61 150.07 5.17 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.056 2.504 . . . . 1.84 111.856 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -126.4 86.24 58.62 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 121.389 0.614 . . . . 4.65 110.714 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -104.56 177.47 0.12 Allowed 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 123.647 2.898 . . . . 3.83 112.502 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -85.34 98.07 10.33 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.545 -0.909 . . . . 6.59 108.545 169.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt 179.87 146.11 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.341 -0.845 . . . . 6.2 109.343 -174.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.59 112.23 5.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.593 -0.521 . . . . 7.11 109.593 173.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.83 129.34 94.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 5.49 110.706 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.23 112.06 1.19 Allowed 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.656 2.237 . . . . 5.22 111.508 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 tp -62.3 -30.68 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 4.55 111.069 -175.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.53 -45.39 96.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 3.31 111.892 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.512 ' O ' HG13 ' A' ' 53' ' ' ILE . 22.6 m -67.16 -40.93 86.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.925 0.393 . . . . 2.79 110.661 178.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.7 t -68.62 -37.32 77.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 1.76 111.565 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -65.91 -31.52 72.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.908 0.385 . . . . 4.23 109.99 174.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 t -66.84 -39.31 87.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.419 -0.585 . . . . 2.25 109.419 174.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.617 HG23 HG13 ' A' ' 36' ' ' VAL . 24.6 mt -60.78 -49.53 84.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-N 116.309 -0.405 . . . . 0.82 109.964 175.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -56.82 -43.22 80.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 2.71 110.702 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.78 -44.81 88.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.918 -0.583 . . . . 3.26 111.053 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 t -69.75 -38.07 76.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.432 . . . . 1.13 111.059 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -80.78 -30.6 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.856 0.36 . . . . 1.09 111.611 -177.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.78 42.75 3.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.847 -0.692 . . . . 1.52 112.195 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.209 -0.9 . . . . 5.08 110.404 -177.897 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 110.351 -0.24 . . . . 20.35 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 58.01 62.72 1.97 Allowed 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.785 0.678 . . . . 19.57 110.907 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 12.0 t -101.56 -28.14 12.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.167 -0.47 . . . . 19.07 111.257 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -92.55 -45.59 3.68 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.353 -0.927 . . . . 16.29 112.304 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 17.1 m -87.67 102.98 15.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.863 0.364 . . . . 14.32 110.561 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -76.2 112.54 12.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.069 -0.514 . . . . 12.4 109.619 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 48.9 tp -71.73 97.37 1.75 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.301 0.572 . . . . 12.09 111.865 -173.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpt -128.81 132.28 47.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.018 -0.992 . . . . 10.27 108.644 171.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -68.88 108.73 3.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.252 0.549 . . . . 7.48 112.265 -170.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m 70.03 -72.87 0.1 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.854 -1.066 . . . . 3.89 112.703 174.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.4 p -83.32 41.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.803 0.335 . . . . 3.44 111.88 -173.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.481 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 46.9 pttt -55.7 -59.99 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 4.54 112.046 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.481 ' H ' ' HG3' ' A' ' 5' ' ' LYS . 89.9 mt -78.46 -36.48 45.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.661 0.267 . . . . 2.06 110.489 -178.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mt -58.69 -37.53 66.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.98 -0.554 . . . . 1.37 110.712 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 6.6 tpm_? -56.48 -56.28 23.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.61 -0.723 . . . . 4.24 111.011 178.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 21.5 ptt? -69.83 -31.58 69.53 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.986 -0.376 . . . . 2.51 109.986 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.47 -51.71 66.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.774 -0.648 . . . . 0.64 111.168 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.43 -38.39 90.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.859 -0.61 . . . . 2.02 112.136 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 12.4 pt-20 -90.65 -6.51 54.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.877 0.325 . . . . 1.67 111.877 -175.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' ' 9' ' ' MET . 16.5 t70 -80.61 -25.43 38.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.018 0.437 . . . . 1.34 109.987 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.9 0.99 7.61 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.526 -0.845 . . . . 0.62 113.278 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.401 ' HZ3' ' O ' ' A' ' 34' ' ' GLY . 69.5 m95 -75.24 134.03 41.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.068 0.434 . . . . 0.71 110.159 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -110.75 145.52 37.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.261 -0.427 . . . . 4.4 110.591 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.59 104.83 5.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.207 -0.664 . . . . 0.7 109.207 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.24 -19.26 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.351 -0.386 . . . . 1.13 111.411 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -147.18 124.3 11.44 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.96 -0.385 . . . . 4.4 109.96 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -87.11 98.65 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.919 -0.582 . . . . 1.83 110.036 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.691 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 5.5 m -114.04 118.04 32.97 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.302 -0.863 . . . . 1.81 109.306 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.5 84.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.217 -0.516 . . . . 1.42 112.387 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -63.27 -49.58 73.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.913 0.387 . . . . 2.66 110.142 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.691 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -156.75 122.43 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.838 -0.619 . . . . 0.82 110.154 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -69.6 133.07 47.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.257 -0.429 . . . . 2.28 110.607 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.422 ' HB3' HD11 ' A' ' 35' ' ' LEU . 61.0 m80 -106.57 106.98 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 3.2 110.947 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' HB2' ' HB ' ' A' ' 36' ' ' VAL . 57.8 m-85 -101.6 149.68 23.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.577 -0.738 . . . . 1.46 110.833 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -151.57 141.29 21.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.781 -0.645 . . . . 1.8 109.898 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.46 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 29.1 t-80 -90.53 128.77 47.48 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.958 -0.756 . . . . 1.52 108.958 176.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 62.0 Cg_endo -67.98 61.42 0.96 Allowed 'Trans proline' 0 N--CA 1.478 0.599 0 C-N-CA 123.419 2.746 . . . . 1.67 113.296 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -175.36 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.495 -0.557 . . . . 2.71 109.495 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -108.31 133.71 20.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.71 -0.677 . . . . 2.81 110.654 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.22 51.51 2.88 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 123.198 2.598 . . . . 1.95 112.562 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' O ' ' HZ3' ' A' ' 15' ' ' TRP . . . -103.9 129.33 9.82 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.978 -0.849 . . . . 0.91 110.978 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 26' ' ' HIS . 26.2 tp -111.59 111.87 23.18 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.853 0.359 . . . . 1.57 110.67 -177.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.643 HG13 HG23 ' A' ' 53' ' ' ILE . 24.0 t -91.83 127.44 44.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.974 -0.557 . . . . 0.49 110.04 177.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.407 HG22 ' HB1' ' A' ' 24' ' ' ALA . 6.9 m -112.62 101.34 9.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.167 -0.47 . . . . 0.89 110.438 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t -99.74 122.55 50.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.326 -0.397 . . . . 1.36 111.911 -173.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.57 149.87 44.68 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.749 2.299 . . . . 1.84 111.819 175.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -83.39 157.17 65.37 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.274 -0.421 . . . . 4.65 111.208 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.29 166.27 1.79 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.348 2.699 . . . . 3.83 113.617 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.8 tttt 26.02 95.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.724 1.209 . . . . 6.59 112.794 -169.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.606 ' HD3' ' N ' ' A' ' 44' ' ' ASP . 13.1 tmtt? 178.24 148.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.489 -1.3 . . . . 6.2 107.489 -177.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.606 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 19.5 t70 -60.58 99.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.801 -0.444 . . . . 7.11 109.801 173.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -73.08 125.0 91.27 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.733 -0.667 . . . . 5.49 110.656 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -70.27 108.1 2.1 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.058 1.839 . . . . 5.22 110.968 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.3 mm -64.71 -37.48 80.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.989 -0.551 . . . . 4.55 110.979 -174.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.37 -42.79 95.84 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.6 -0.809 . . . . 3.31 111.643 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 53' ' ' ILE . 10.6 m -68.2 -38.86 82.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.954 0.407 . . . . 2.79 110.731 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.9 t -68.64 -38.67 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 1.76 111.386 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -68.38 -23.48 64.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.119 0.485 . . . . 4.23 109.973 175.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 t -75.85 -32.9 59.97 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.128 -0.487 . . . . 2.25 109.699 175.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.643 HG23 HG13 ' A' ' 36' ' ' VAL . 28.1 mt -63.68 -47.72 89.87 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 N-CA-C 109.045 -0.724 . . . . 0.82 109.045 173.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -60.08 -31.74 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.509 -0.769 . . . . 2.71 110.476 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -66.0 -59.46 3.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 3.26 111.113 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.0 m -76.61 -48.92 17.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.23 0.455 . . . . 1.13 112.23 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.515 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -82.37 -24.42 34.49 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.764 0.283 . . . . 1.09 111.764 -174.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.99 -49.55 1.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.566 -0.826 . . . . 1.52 112.804 -176.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.289 -0.862 . . . . 5.08 110.803 -177.823 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 109.946 -0.39 . . . . 20.35 109.946 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -76.4 -31.55 58.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.377 -0.374 . . . . 19.57 111.485 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 20.3 m -92.33 -38.79 11.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.448 0.642 . . . . 19.07 109.506 175.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . 0.402 ' HA3' HD12 ' A' ' 0' ' ' LEU . . . 149.94 161.72 10.02 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.185 -0.916 . . . . 16.29 111.482 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 29.1 p -60.88 -53.07 61.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.251 0.548 . . . . 14.32 110.019 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 1' ' ' MET . 37.3 tt0 -129.1 -84.2 0.56 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.361 -0.836 . . . . 12.4 108.969 172.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' LEU . . . . . 0.461 ' HB3' ' OG1' ' A' ' 49' ' ' THR . 78.7 mt 52.54 31.26 9.66 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.602 0.564 . . . . 12.09 111.828 176.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.466 ' H ' ' HG2' ' A' ' -1' ' ' GLU . 64.8 mtt -140.35 99.35 3.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.55 . . . . 10.27 109.752 -178.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.472 ' ND2' HD12 ' A' ' 45' ' ' LEU . 44.3 m-80 -141.62 111.87 6.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.305 -0.407 . . . . 7.48 110.127 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -147.94 158.61 44.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.885 0.374 . . . . 3.89 111.265 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.6 t -160.97 -45.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.769 -0.65 . . . . 3.44 109.62 176.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -90.07 -43.51 10.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 4.54 111.382 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.3 -18.61 64.76 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.324 0.49 . . . . 2.06 112.324 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.403 HG13 ' H ' ' A' ' 7' ' ' ILE . 4.9 mt -55.12 -32.32 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 1.37 111.117 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 26.1 mmm180 -64.07 -44.5 92.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.361 -0.382 . . . . 4.24 111.131 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.1 tpt -64.3 -38.6 91.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.999 0.428 . . . . 2.51 110.638 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.7 tp -64.86 -29.03 69.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.669 -0.696 . . . . 0.64 110.205 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -73.75 -45.91 49.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.415 -0.811 . . . . 2.02 109.904 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 36.3 mt-10 -70.48 -23.75 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.686 -0.688 . . . . 1.67 111.346 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.68 -26.28 61.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.397 -0.365 . . . . 1.34 110.578 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.51 22.63 5.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.421 -0.895 . . . . 0.62 113.676 174.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.641 ' CZ2' ' HA ' ' A' ' 57' ' ' ALA . 52.2 m95 -90.76 131.0 36.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.12 0.46 . . . . 0.71 110.42 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -110.25 147.18 34.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.871 -0.604 . . . . 4.4 110.525 -172.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.8 tp -70.77 99.41 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.7 110.32 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' A' ' 28' ' ' LYS . 21.4 m -94.68 -24.04 4.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.825 -0.625 . . . . 1.13 111.738 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -150.5 131.95 14.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.04 0.448 . . . . 4.4 111.066 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -100.05 149.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.895 -0.593 . . . . 1.83 110.785 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.501 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 4.2 m -136.3 159.73 40.85 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.605 -0.887 . . . . 1.81 108.605 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.07 -51.88 7.15 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 114.474 0.55 . . . . 1.42 114.474 -174.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -107.1 -45.52 4.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 117.303 0.551 . . . . 2.66 111.299 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.501 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -109.45 163.53 13.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.844 0.354 . . . . 0.82 111.139 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -120.52 143.99 48.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.589 -0.278 . . . . 2.28 110.685 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.483 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 7.4 t-80 -98.89 130.98 45.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.447 0.642 . . . . 3.2 111.45 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.413 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 65.3 m-85 -110.9 140.82 45.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.909 -1.041 . . . . 1.46 110.381 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB3' HG21 ' A' ' 18' ' ' VAL . 37.6 ttmt -149.16 136.71 20.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.147 0.499 . . . . 1.8 110.503 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 17.2 t-80 -106.1 131.54 21.64 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 107.975 -1.12 . . . . 1.52 107.975 175.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 59.1 Cg_endo -67.61 36.53 0.16 Allowed 'Trans proline' 0 N--CA 1.483 0.869 0 C-N-CA 123.471 2.781 . . . . 1.67 113.995 -175.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 29' ' ' HIS . 72.8 mmtt -140.77 -38.9 0.42 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.787 -0.82 . . . . 2.71 108.787 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -111.05 111.14 56.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.251 -0.886 . . . . 2.81 110.086 176.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.79 50.07 2.65 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.97 2.447 . . . . 1.95 112.804 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.49 148.86 18.46 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.934 -0.651 . . . . 0.91 111.868 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.464 HD12 ' NE2' ' A' ' 26' ' ' HIS . 2.7 tp -101.75 98.74 8.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.021 0.439 . . . . 1.57 109.95 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.716 HG13 HG23 ' A' ' 53' ' ' ILE . 42.0 t -90.69 117.25 33.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.065 -0.516 . . . . 0.49 109.657 176.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 m -112.18 103.95 12.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.326 -0.397 . . . . 0.89 110.124 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.7 t -104.17 119.51 53.9 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 1.36 111.975 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.07 154.34 25.44 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 123.761 2.974 . . . . 1.84 111.318 171.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -76.66 147.35 78.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.593 -0.892 . . . . 4.65 108.593 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -20.67 99.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 125.175 3.917 . . . . 3.83 114.489 -171.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.521 ' HG2' ' H ' ' A' ' 43' ' ' LYS . 36.3 tttm -111.72 -164.72 0.93 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.874 -1.057 . . . . 6.59 109.815 -173.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.521 ' H ' ' HG2' ' A' ' 42' ' ' LYS . 65.8 mttm -74.36 151.18 39.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.043 0.449 . . . . 6.2 110.747 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -83.11 98.19 9.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.017 -0.538 . . . . 7.11 109.669 177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 43.0 mt -110.65 168.7 7.22 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.519 -0.764 . . . . 5.49 109.723 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 45' ' ' LEU . 83.6 Cg_exo -46.51 131.03 15.25 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.521 2.147 . . . . 5.22 112.556 177.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.401 ' H ' HG13 ' A' ' 47' ' ' ILE . 2.4 pp -83.47 5.2 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.946 -0.57 . . . . 4.55 112.037 -175.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.03 -41.22 99.66 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.906 -0.664 . . . . 3.31 112.233 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.461 ' OG1' ' HB3' ' A' ' 0' ' ' LEU . 10.8 t -78.91 -27.45 43.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.497 0.665 . . . . 2.79 110.019 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.5 t -67.16 -20.88 27.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.145 -0.934 . . . . 1.76 110.802 176.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -56.41 -20.41 19.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.009 -0.542 . . . . 4.23 111.382 173.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.7 t -62.08 -41.59 98.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.574 -0.528 . . . . 2.25 109.574 173.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.716 HG23 HG13 ' A' ' 36' ' ' VAL . 12.4 mt -71.36 -43.3 73.55 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.82 109.702 176.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -67.1 -23.15 65.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.954 -0.566 . . . . 2.71 111.434 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 44.2 tttm -81.21 -50.95 8.95 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.759 -0.459 . . . . 3.26 109.759 175.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.9 t -58.91 -43.08 91.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.03 -0.532 . . . . 1.13 110.058 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . . . -93.33 21.62 5.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.759 -0.655 . . . . 1.09 110.839 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.59 -108.58 0.27 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.663 -0.779 . . . . 1.52 112.848 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 80.2 mt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.491 -0.766 . . . . 5.08 111.465 -173.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.924 0.392 . . . . 20.35 110.1 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -109.81 161.64 15.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.01 -0.541 . . . . 19.57 110.176 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 13.0 t -167.21 151.37 6.8 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.103 -0.499 . . . . 19.07 109.694 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -166.62 159.51 32.87 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.496 -0.642 . . . . 16.29 111.496 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.3 m -91.78 79.4 5.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.192 0.52 . . . . 14.32 110.769 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -87.78 154.62 20.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.689 -0.687 . . . . 12.4 109.946 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 48.6 mt 62.07 22.92 13.46 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.067 0.547 . . . . 12.09 110.701 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt -122.01 105.09 9.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.853 -0.612 . . . . 10.27 109.941 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -80.5 57.48 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.697 0.761 . . . . 7.48 110.139 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 t -126.34 -0.02 7.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.323 -0.853 . . . . 3.89 109.516 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.502 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 48.9 m -155.56 12.86 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 3.44 111.398 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 5' ' ' LYS . 28.6 mmtp -83.85 -56.66 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.698 0.285 . . . . 4.54 111.286 -176.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.15 -32.95 71.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.488 -0.56 . . . . 2.06 109.488 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mt -64.15 -34.7 70.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.302 -0.863 . . . . 1.37 111.017 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 4' ' ' SER . 0.9 OUTLIER -65.67 -47.62 74.88 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.339 -0.615 . . . . 4.24 109.339 178.196 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.9 tpt -57.51 -48.02 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.813 -0.631 . . . . 2.51 110.422 175.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.04 -40.89 67.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.023 -0.989 . . . . 0.64 111.064 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -72.54 -44.76 61.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.864 -0.607 . . . . 2.02 111.035 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.0 pt-20 -75.24 -17.99 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.471 -0.331 . . . . 1.67 111.692 -176.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.6 -18.23 61.62 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.956 0.408 . . . . 1.34 110.512 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.46 -5.41 8.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.508 -0.853 . . . . 0.62 113.348 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -72.47 146.45 46.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.991 0.424 . . . . 0.71 110.919 -177.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 3.8 mmp_? -114.78 139.11 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.127 -0.488 . . . . 4.4 110.946 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.429 HD21 HG12 ' A' ' 20' ' ' VAL . 54.6 tp -73.09 96.65 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.164 -0.68 . . . . 0.7 109.164 173.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.4 m -98.48 -20.87 5.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.961 -0.563 . . . . 1.13 112.046 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' HB3' ' A' ' 26' ' ' HIS . 31.6 tpt180 -143.35 119.6 10.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.859 0.362 . . . . 4.4 110.573 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.429 HG12 HD21 ' A' ' 17' ' ' LEU . 33.9 m -94.98 146.25 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.991 -0.55 . . . . 1.83 110.961 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.643 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 8.3 m -149.95 158.61 44.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.125 -1.065 . . . . 1.81 108.125 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.43 -66.24 2.51 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 121.356 -0.45 . . . . 1.42 114.065 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 p -87.48 -37.41 16.98 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.353 0.501 . . . . 2.66 112.353 -174.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.643 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -121.61 151.69 40.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.82 111.815 -174.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -122.13 132.7 54.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.111 -0.495 . . . . 2.28 110.07 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.547 ' NE2' HD12 ' A' ' 35' ' ' LEU . 7.2 t-80 -94.5 126.68 39.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.511 0.672 . . . . 3.2 111.122 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -110.48 141.89 42.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.757 -1.11 . . . . 1.46 110.042 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -151.32 143.1 23.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.809 -0.632 . . . . 1.8 109.33 -178.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.531 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 8.0 t-80 -102.42 129.31 26.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.228 -0.656 . . . . 1.52 109.228 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.531 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 73.0 Cg_endo -70.46 50.98 1.06 Allowed 'Trans proline' 0 N--CA 1.478 0.564 0 C-N-CA 123.471 2.781 . . . . 1.67 113.564 -176.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -166.58 -47.85 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.204 0.526 . . . . 2.71 109.749 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.75 132.99 20.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.638 -0.71 . . . . 2.81 109.74 177.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -74.0 155.08 47.98 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.481 2.12 . . . . 1.95 111.856 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.22 129.33 1.3 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.773 -0.727 . . . . 0.91 111.911 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.547 HD12 ' NE2' ' A' ' 26' ' ' HIS . 3.8 tp -99.54 98.5 9.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.877 0.37 . . . . 1.57 110.142 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.844 HG13 HG23 ' A' ' 53' ' ' ILE . 38.6 t -91.38 99.66 10.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.285 -0.635 . . . . 0.49 109.285 173.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.547 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 21.2 m -105.37 99.92 9.51 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.923 -0.58 . . . . 0.89 109.887 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.414 HG22 HD13 ' A' ' 53' ' ' ILE . 22.4 t -95.28 106.72 27.88 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 116.11 -0.495 . . . . 1.36 111.312 -175.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.547 ' HD3' ' O ' ' A' ' 37' ' ' THR . 1.4 Cg_endo -84.16 134.23 5.91 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.957 2.438 . . . . 1.84 111.771 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -82.31 146.25 53.94 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 116.063 -0.517 . . . . 4.65 110.336 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -35.69 98.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 124.625 3.55 . . . . 3.83 114.11 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 43' ' ' LYS . 42.3 tptt 179.33 176.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.178 -1.416 . . . . 6.59 107.178 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' H ' ' HG3' ' A' ' 42' ' ' LYS . 53.7 mtmt -74.97 114.45 13.47 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 120.099 -0.64 . . . . 6.2 109.982 173.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -153.14 -169.91 3.46 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.611 -0.885 . . . . 7.11 108.611 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mp -39.93 138.35 1.08 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 123.822 0.701 . . . . 5.49 111.751 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -60.77 162.33 18.88 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.485 2.79 . . . . 5.22 112.867 -174.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.3 pt -63.75 -10.91 7.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.205 -0.907 . . . . 4.55 112.037 -176.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.32 -24.29 65.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.912 -0.661 . . . . 3.31 111.464 172.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 53' ' ' ILE . 3.0 m -79.3 -32.98 43.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.36 0.6 . . . . 2.79 109.713 175.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.4 t -69.25 -45.74 78.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.514 -0.766 . . . . 1.76 111.579 -177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' C ' ' HD3' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -65.51 -18.47 65.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.059 0.457 . . . . 4.23 110.269 176.488 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.413 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 26.2 t -78.54 -35.86 45.53 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.606 -0.516 . . . . 2.25 109.606 174.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.844 HG23 HG13 ' A' ' 36' ' ' VAL . 42.8 mt -61.88 -51.68 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 CA-C-O 121.003 0.43 . . . . 0.82 110.315 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -61.72 -24.01 66.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.559 -0.746 . . . . 2.71 111.301 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -86.73 -52.8 5.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.549 -0.751 . . . . 3.26 111.05 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.9 m -62.1 -39.84 93.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 1.13 110.709 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.34 20.99 12.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.949 -0.569 . . . . 1.09 110.562 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -155.89 -104.88 0.23 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 121.052 -0.594 . . . . 1.52 111.894 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.241 -0.885 . . . . 5.08 110.143 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.805 0.336 . . . . 20.35 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -83.22 115.46 21.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.385 -0.37 . . . . 19.57 110.306 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 2.1 p -66.52 115.67 6.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.036 0.446 . . . . 19.07 110.085 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . 0.435 ' CA ' HD21 ' A' ' 0' ' ' LEU . . . -91.69 -98.59 1.3 Allowed Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.722 -0.751 . . . . 16.29 112.507 -175.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 40.4 m 63.44 82.36 0.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 122.829 0.452 . . . . 14.32 111.488 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 66.73 79.44 0.24 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.248 -0.887 . . . . 12.4 111.769 175.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' LEU . . . . . 0.435 HD21 ' CA ' ' A' ' -3' ' ' GLY . 2.3 mm? -96.21 64.79 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.52 -0.548 . . . . 12.09 109.52 176.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? 64.96 89.48 0.09 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.906 -0.588 . . . . 10.27 109.722 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -117.74 -3.71 11.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.958 -0.565 . . . . 7.48 111.163 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m 55.83 22.45 5.59 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.203 0.601 . . . . 3.89 112.017 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.49 ' HA ' ' HB ' ' A' ' 7' ' ' ILE . 40.8 m -90.04 67.86 7.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.119 0.485 . . . . 3.44 110.903 -174.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 33.9 mmtp -85.93 -64.7 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.939 -0.573 . . . . 4.54 109.973 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.09 -23.04 41.56 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.71 -0.478 . . . . 2.06 109.71 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' A' ' 4' ' ' SER . 53.3 mt -66.34 -23.91 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.607 -0.724 . . . . 1.37 109.414 173.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 20.3 tpt180 -69.61 -45.72 67.92 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.645 -0.707 . . . . 4.24 110.029 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.411 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . 55.0 ttp -60.31 -42.42 95.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.16 0.505 . . . . 2.51 109.881 176.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 tp -54.15 -42.63 69.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.148 -0.933 . . . . 0.64 110.883 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -72.56 -48.27 41.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.223 -0.444 . . . . 2.02 110.899 -175.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 9' ' ' MET . 12.9 pt-20 -72.98 -6.02 42.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.401 . . . . 1.67 111.481 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -73.84 -15.27 61.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.518 0.675 . . . . 1.34 109.754 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.27 23.89 2.82 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.745 -0.741 . . . . 0.62 112.484 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 27' ' ' PHE . 82.5 m95 -102.05 165.67 11.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.915 0.388 . . . . 0.71 111.312 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -136.86 137.63 39.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.958 -0.564 . . . . 4.4 110.089 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.1 tp -76.23 106.53 7.9 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.519 -0.548 . . . . 0.7 109.519 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 m -94.5 -37.27 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 111.821 0.304 . . . . 1.13 111.821 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -143.73 151.46 40.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 4.4 110.662 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.7 t -131.64 124.56 54.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.129 -0.487 . . . . 1.83 110.522 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.421 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 32.0 p -119.89 99.42 6.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.859 0.361 . . . . 1.81 110.243 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.36 -101.04 0.71 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.588 -0.815 . . . . 1.42 111.498 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -120.41 11.45 11.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.366 0.603 . . . . 2.66 109.66 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HB3' ' OG1' ' A' ' 21' ' ' THR . . . -90.52 113.23 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.829 -0.623 . . . . 0.82 111.01 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 37' ' ' THR . 7.9 m-70 -84.25 114.81 22.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.644 -0.707 . . . . 2.28 109.464 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -99.44 109.48 22.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.743 0.306 . . . . 3.2 110.215 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 49.9 m-85 -100.82 138.32 38.03 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.108 -0.496 . . . . 1.46 111.244 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HD2' HD11 ' A' ' 35' ' ' LEU . 82.5 tttt -157.02 117.82 3.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.781 -0.645 . . . . 1.8 110.947 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.417 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 14.4 t-80 -113.02 129.23 24.71 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 115.697 -0.683 . . . . 1.52 109.522 173.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' A' ' 29' ' ' HIS . 56.9 Cg_endo -67.12 68.28 0.6 Allowed 'Trans proline' 0 N--CA 1.479 0.659 0 C-N-CA 123.352 2.701 . . . . 1.67 112.337 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.0 tttp 177.41 -25.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.691 -1.14 . . . . 2.71 108.123 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 29.9 mmtp -98.25 174.18 3.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 114.758 -1.11 . . . . 2.81 110.233 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 32' ' ' LYS . 50.7 Cg_exo -59.41 -147.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.288 2.659 . . . . 1.95 114.176 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.72 -155.49 3.67 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.874 -0.603 . . . . 0.91 113.496 -176.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD11 ' HD2' ' A' ' 28' ' ' LYS . 11.2 mp -87.68 125.87 34.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.981 0.42 . . . . 1.57 111.306 -176.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.515 HG21 ' HB2' ' A' ' 57' ' ' ALA . 38.4 t -90.84 110.52 22.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.262 -0.644 . . . . 0.49 109.262 172.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 28.9 m -106.16 108.45 19.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.215 -0.448 . . . . 0.89 110.626 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.1 t -113.14 97.59 43.11 Favored Pre-proline 0 C--N 1.324 -0.52 0 C-N-CA 121.032 -0.267 . . . . 1.36 110.735 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 15.3 Cg_endo -97.9 96.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.172 2.581 . . . . 1.84 111.375 170.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -155.24 89.58 3.03 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.407 -0.36 . . . . 4.65 110.992 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -84.89 97.22 0.66 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.072 1.848 . . . . 3.83 111.135 173.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.62 ' HG2' ' H ' ' A' ' 43' ' ' LYS . 58.0 tttm -179.95 -170.54 0.15 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.074 -0.713 . . . . 6.59 109.074 -171.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.62 ' H ' ' HG2' ' A' ' 42' ' ' LYS . 97.5 mttt -73.76 -174.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.954 -0.387 . . . . 6.2 109.954 172.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -54.25 132.14 42.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.474 0.654 . . . . 7.11 111.427 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 46' ' ' PRO . 24.6 tp -76.82 139.82 66.67 Favored Pre-proline 0 N--CA 1.436 -1.165 0 CA-C-N 115.219 -0.9 . . . . 5.49 110.545 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' HD12 ' A' ' 45' ' ' LEU . 73.2 Cg_exo -51.91 136.17 51.56 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.589 2.193 . . . . 5.22 111.684 173.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 35.0 pt -64.98 -21.47 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.834 -0.621 . . . . 4.55 112.216 -172.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.65 -43.26 96.34 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.87 -0.681 . . . . 3.31 112.11 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.3 m -75.79 -28.48 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.383 0.611 . . . . 2.79 110.326 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.5 t -75.9 -24.79 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 1.76 111.144 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 10.4 mmmm -59.04 -29.19 67.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.576 0.227 . . . . 4.23 111.47 176.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 m -67.61 -35.22 78.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.309 0.576 . . . . 2.25 109.769 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.46 HG23 HG13 ' A' ' 36' ' ' VAL . 20.1 mt -71.7 -43.76 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.615 -0.72 . . . . 0.82 109.633 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.581 ' HA ' HE21 ' A' ' 54' ' ' GLN . 0.0 OUTLIER -62.13 -14.04 33.06 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.715 -0.675 . . . . 2.71 111.796 -177.641 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -57.46 -53.11 61.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.496 -0.557 . . . . 3.26 109.496 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.6 m -91.55 -38.91 12.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 1.13 110.883 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.515 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -90.76 15.29 11.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.871 -0.604 . . . . 1.09 111.871 -174.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -131.35 -61.18 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.481 -0.866 . . . . 1.52 111.68 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 119.094 -0.479 . . . . 5.08 110.151 -178.324 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 111.154 0.057 . . . . 20.35 111.154 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -128.61 138.64 52.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.022 0.439 . . . . 19.57 111.119 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . . . . . . . . . 3.9 p -79.52 83.43 5.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.681 -0.691 . . . . 19.07 110.707 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -112.22 158.55 14.24 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.858 -0.687 . . . . 16.29 112.034 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 28.7 t -146.45 34.29 0.96 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.226 0.536 . . . . 14.32 109.88 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -83.5 77.81 9.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 12.4 110.331 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 88.9 mt -123.28 -92.68 0.53 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.786 -0.643 . . . . 12.09 109.79 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? 50.75 44.41 27.83 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.558 0.537 . . . . 10.27 110.998 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 p30 40.21 72.76 0.14 Allowed 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.219 0.95 . . . . 7.48 111.624 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 m -54.68 104.55 0.12 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.223 -0.899 . . . . 3.89 111.352 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.3 p -68.1 -19.17 64.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 3.44 110.785 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -46.5 -49.83 17.89 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.675 -0.693 . . . . 4.54 111.347 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.21 -43.05 92.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.328 -0.851 . . . . 2.06 111.151 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.506 HG12 HG11 ' A' ' 38' ' ' VAL . 77.3 mt -69.98 -41.27 79.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.029 -0.532 . . . . 1.37 110.735 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 58.6 mtp180 -65.45 -43.43 90.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.444 -0.344 . . . . 4.24 110.769 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 37.2 ttm -56.57 -46.87 80.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 2.51 110.469 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.95 -37.2 83.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.842 -1.072 . . . . 0.64 110.688 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.13 -58.66 7.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.346 -0.843 . . . . 2.02 111.036 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 11.1 pt-20 -70.32 -11.69 61.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 1.67 111.95 -173.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -75.73 -24.88 56.19 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.81 -0.441 . . . . 1.34 109.81 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.6 5.98 10.77 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.742 . . . . 0.62 113.643 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -79.27 141.33 37.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.202 0.501 . . . . 0.71 111.332 -177.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -113.19 151.0 31.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.783 -0.644 . . . . 4.4 110.091 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.72 108.76 4.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.332 -0.618 . . . . 0.7 109.332 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -93.98 -28.78 4.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.029 -0.532 . . . . 1.13 110.997 -170.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.517 ' HB3' ' HB2' ' A' ' 26' ' ' HIS . 30.8 ttm180 -138.7 118.64 13.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.758 -0.46 . . . . 4.4 109.758 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -87.2 123.99 40.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.762 -0.653 . . . . 1.83 110.323 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.617 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 26.1 m -149.99 128.27 12.09 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.649 -0.705 . . . . 1.81 109.325 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.14 -20.09 72.68 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.108 -0.568 . . . . 1.42 112.719 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.489 ' H ' HG22 ' A' ' 21' ' ' THR . 16.3 m -82.32 -33.65 28.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.731 0.301 . . . . 2.66 111.125 178.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.617 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -162.08 133.7 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.364 -0.38 . . . . 0.82 110.124 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -91.94 118.23 30.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.863 0.363 . . . . 2.28 110.03 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 90.0 m-70 -101.24 115.03 29.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 3.2 111.146 -174.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -101.1 147.54 26.11 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.663 -0.699 . . . . 1.46 110.485 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HB3' HG21 ' A' ' 18' ' ' VAL . 87.3 tttt -152.0 135.67 16.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.0 0.428 . . . . 1.8 110.925 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -109.09 100.65 41.48 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.121 -1.066 . . . . 1.52 108.121 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.59 -13.11 7.35 Favored 'Trans proline' 0 N--CA 1.481 0.739 0 C-N-CA 123.645 2.897 . . . . 1.67 114.844 -169.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -78.26 -27.76 47.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.328 0.585 . . . . 2.71 109.484 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -111.37 143.24 28.06 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.471 -0.786 . . . . 2.81 110.508 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.22 60.18 7.7 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.397 2.065 . . . . 1.95 112.117 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.88 137.15 7.52 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.437 -0.887 . . . . 0.91 112.673 -177.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 tt -122.38 129.14 51.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.501 -0.555 . . . . 1.57 109.501 175.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 57' ' ' ALA . 54.8 t -103.39 129.06 55.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.135 -0.484 . . . . 0.49 110.938 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.6 m -105.07 103.32 12.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.535 -0.302 . . . . 0.89 110.321 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.506 HG11 HG12 ' A' ' 7' ' ' ILE . 92.8 t -86.01 132.23 44.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 1.36 110.335 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 11.3 Cg_exo -71.86 148.45 51.93 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.503 2.136 . . . . 1.84 111.485 176.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.409 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 7.6 p-80 -89.3 175.98 3.52 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.851 -0.613 . . . . 4.65 110.064 -175.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 40' ' ' HIS . 83.2 Cg_exo -51.22 -177.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.744 2.296 . . . . 3.83 113.557 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm 32.77 -162.09 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.94 -0.573 . . . . 6.59 112.473 -160.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -73.98 147.62 42.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.155 0.502 . . . . 6.2 111.205 -176.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -157.14 -169.12 2.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.492 -0.776 . . . . 7.11 109.312 -172.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 95.1 mt -38.73 132.1 1.09 Allowed Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 123.604 0.761 . . . . 5.49 111.692 176.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 45' ' ' LEU . 37.2 Cg_exo -60.78 -176.17 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.61 2.873 . . . . 5.22 114.573 -176.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 47' ' ' ILE . 3.0 mp -61.92 -29.28 46.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.633 -0.712 . . . . 4.55 111.232 -175.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -53.27 -36.88 53.9 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.194 -0.526 . . . . 3.31 112.884 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.3 m -72.93 -31.53 64.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.522 . . . . 2.79 110.595 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.5 t -72.62 -33.44 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.816 -0.629 . . . . 1.76 110.488 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 51' ' ' LYS . 12.8 mmmm -62.25 -34.49 76.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.299 -0.409 . . . . 4.23 110.299 175.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.4 m -63.58 -33.83 76.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.983 -0.553 . . . . 2.25 110.076 175.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.441 HG23 ' CG1' ' A' ' 36' ' ' VAL . 14.8 mt -67.3 -46.02 84.78 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.269 0 N-CA-C 109.567 -0.531 . . . . 0.82 109.567 175.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -58.1 -36.0 72.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 2.71 110.684 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HB3' ' NZ ' ' A' ' 55' ' ' LYS . 9.2 mtpm? -76.26 -52.19 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 3.26 111.864 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 m -74.02 -38.61 64.0 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.292 0.478 . . . . 1.13 112.292 -173.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 36' ' ' VAL . . . -89.7 -27.93 19.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.913 0.387 . . . . 1.09 111.048 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.06 -41.79 6.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 1.52 112.299 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.869 -0.586 . . . . 5.08 111.056 179.289 . . . . . . . . 0 0 . 1 stop_ save_